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| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 21401 | G07 CHEMBL5274743 ZINC000098208914 |
2 | C28 H36 N2 O9 S | InChI=1S/C28H36N2O9S/c1-1 8(2)15-30(40(35,36)21-10- 8-20(9-11-21)26(32)33)16- 24(31)23(14-19-6-4-3-5-7- 19)29-28(34)39-25-17-38-2 7-22(25)12-13-37-27/h3-11 ,18,22-25,27,31H,12-17H2, 1-2H3,(H,29,34)(H,32,33)/ t22-,23-,24+,25-,27+/m0/s 1; YSTCRWMBLFPEMC-GAYSTUHSSA-N |
CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CC O3)O)S(=O)(=O)c4ccc(cc4)C(=O)O; CC(C)CN( C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH ]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)C(O)=O; CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O )O[C@H]2CO[C@H]3OCC[C@@H]23)[S](=O)(=O)c 4ccc(cc4)C(O)=O; O=C(O)c1ccc(cc1)S(=O)(= O)N(CC(C)C)CC(O)C(NC(=O)OC2COC3OCCC23)Cc 4ccccc4; CC(C)CN(C[C@H]([C@H](Cc1ccccc1) NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O) (=O)c4ccc(cc4)C(=O)O |
4-{[(2R,3S)-3-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl](2-methylpropyl)sulfamoyl}benzoic acid |
| 21402 | G08 CHEMBL5271223 ZINC000098208915 |
6 | C28 H37 N3 O8 S | InChI=1S/C28H37N3O8S/c1-1 8(2)15-31(40(35,36)21-10- 8-20(9-11-21)26(29)33)16- 24(32)23(14-19-6-4-3-5-7- 19)30-28(34)39-25-17-38-2 7-22(25)12-13-37-27/h3-11 ,18,22-25,27,32H,12-17H2, 1-2H3,(H2,29,33)(H,30,34) /t22-,23-,24+,25-,27+/m0/ s1; VYMACSGLMLFUSD-GAYSTUHSSA-N |
CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[C H]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4 )C(N)=O; CC(C)CN(C[C@@H](O)[C@H](Cc1cccc c1)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)[S]( =O)(=O)c4ccc(cc4)C(N)=O; CC(C)CN(C[C@H]( [C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C @H]2CCO3)O)S(=O)(=O)c4ccc(cc4)C(=O)N; CC (C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3 )O)S(=O)(=O)c4ccc(cc4)C(=O)N; O=C(N)c1cc c(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(NC(=O)OC2 COC3OCCC23)Cc4ccccc4 |
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-carbamoylphenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate |
| 21403 | G09 | 5 | C28 H31 N5 O2 | InChI=1S/C28H31N5O2/c1-3- 15-33-27(34)26-25(13-14-2 9-26)31-28(33)30-23-16-22 (17-32(2)18-23)21-9-11-24 (12-10-21)35-19-20-7-5-4- 6-8-20/h3-14,22-23,29H,1, 15-19H2,2H3,(H,30,31)/t22 -,23+/m0/s1; NBDJDKAXIGWAIM-XZOQPEGZSA-N |
CN1C[CH](C[CH](C1)c2ccc(OCc3ccccc3)cc2)N C4=Nc5cc[nH]c5C(=O)N4CC=C; CN1C[C@H](C[C @H](C1)NC2=Nc3cc[nH]c3C(=O)N2CC=C)c4ccc( cc4)OCc5ccccc5; CN1CC(CC(C1)NC2=Nc3cc[nH ]c3C(=O)N2CC=C)c4ccc(cc4)OCc5ccccc5; CN1 C[C@@H](C[C@@H](C1)c2ccc(OCc3ccccc3)cc2) NC4=Nc5cc[nH]c5C(=O)N4CC=C |
2-[[(3~{R},5~{R})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-3-prop-2-enyl-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one |
| 21404 | G0B | 0 | C29 H64 N18 O13 | InChI=1S/C29H58N18O13/c30 -24(31)42-2-7-13(50)15(52 )10(46-28(38)39)21(55-7)5 8-18-6(45-27(36)37)1-5(44 -26(34)35)12(49)20(18)60- 23-17(54)19(9(4-48)57-23) 59-22-11(47-29(40)41)16(5 3)14(51)8(56-22)3-43-25(3 2)33/h5-23,48-54H,1-4H2,( H4,30,31,42)(H4,32,33,43) (H4,34,35,44)(H4,36,37,45 )(H4,38,39,46)(H4,40,41,4 7)/p+6/t5-,6+,7+,8+,9-,10 +,11+,12+,13+,14+,15+,16+ ,17+,18+,19-,20-,21-,22-, 23+/m1/s1; PKRWVRYPYSMBDP-OBAWDCFYSA-T |
O(C2C(OC1OC(CNC(=[NH2+])\N)C(O)C(O)C1NC( =[NH2+])\N)C(NC(=[NH2+])\N)CC(NC(=[NH2+] )\N)C2O)C4OC(C(OC3OC(CNC(=[NH2+])\N)C(O) C(O)C3NC(=[NH2+])\N)C4O)CO; C1C(C(C(C(C1 NC(=[NH2+])N)OC2C(C(C(C(O2)CNC(=[NH2+])N )O)O)NC(=[NH2+])N)OC3C(C(C(O3)CO)OC4C(C( C(C(O4)CNC(=[NH2+])N)O)O)NC(=[NH2+])N)O) O)NC(=[NH2+])N; C1[C@H]([C@@H]([C@H]([C@ H]([C@H]1NC(=[NH2+])N)O[C@@H]2[C@H]([C@@ H]([C@H]([C@@H](O2)CNC(=[NH2+])N)O)O)NC( =[NH2+])N)O[C@H]3[C@H]([C@@H]([C@H](O3)C O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C NC(=[NH2+])N)O)O)NC(=[NH2+])N)O)O)NC(=[N H2+])N; NC(=[NH2+])NC[CH]1O[CH](O[CH]2[C H](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](C[C H](NC(N)=[NH2+])[CH]3O[CH]4O[CH](CNC(N)= [NH2+])[CH](O)[CH](O)[CH]4NC(N)=[NH2+])N C(N)=[NH2+])[CH](NC(N)=[NH2+])[CH](O)[CH ]1O; NC(=[NH2+])NC[C@@H]1O[C@H](O[C@H]2[ C@H](O)[C@@H](O[C@@H]2CO)O[C@@H]3[C@@H]( O)[C@@H](C[C@H](NC(N)=[NH2+])[C@@H]3O[C@ H]4O[C@@H](CNC(N)=[NH2+])[C@H](O)[C@@H]( O)[C@@H]4NC(N)=[NH2+])NC(N)=[NH2+])[C@@H ](NC(N)=[NH2+])[C@H](O)[C@H]1O |
|
| 21405 | G0C | 2 | C12 H19 N2 O5 P S | InChI=1S/C12H19N2O5PS/c1- 9-12(15)11(7-13-4-3-5-21- 2)10(6-14-9)8-19-20(16,17 )18/h6-7,15H,3-5,8H2,1-2H 3,(H2,16,17,18)/b13-7+; BEOXZSCYUHRCGB-NTUHNPAUSA-N |
Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCCSC)O; C c1c(c(c(cn1)COP(=O)(O)O)C=NCCCSC)O; CSCC CN=Cc1c(O)c(C)ncc1CO[P](O)(O)=O |
[6-methyl-4-[(E)-3-methylsulfanylpropyliminomethyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate |
| 21406 | G0D | 2 | C29 H35 N3 O3 S | InChI=1S/C29H35N3O3S/c1-2 9(2,3)35-28(34)32-25(17-2 2-11-6-4-7-12-22)21-36-26 (18-23-13-8-5-9-14-23)27( 33)31-20-24-15-10-16-30-1 9-24/h4-16,19,25-26H,17-1 8,20-21H2,1-3H3,(H,31,33) (H,32,34)/t25-,26-/m1/s1; DPUYQVBTNSUNNA-CLJLJLNGSA-N |
C(SC(Cc1ccccc1)C(=O)NCc2cnccc2)C(Cc3cccc c3)NC(=O)OC(C)(C)C; CC(C)(C)OC(=O)N[C@H] (Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCc3cc cnc3; CC(C)(C)OC(=O)NC(Cc1ccccc1)CSC(Cc2 ccccc2)C(=O)NCc3cccnc3; CC(C)(C)OC(=O)N[ CH](CS[CH](Cc1ccccc1)C(=O)NCc2cccnc2)Cc3 ccccc3; CC(C)(C)OC(=O)N[C@@H](CS[C@H](Cc 1ccccc1)C(=O)NCc2cccnc2)Cc3ccccc3 |
tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
| 21407 | G0E | 1 | C25 H19 F3 N8 O | InChI=1S/C25H19F3N8O/c1-1 4-6-7-15(24(37)32-18-5-3- 4-17(9-18)25(26,27)28)8-2 0(14)33-22-19-12-31-36(2) 23(19)35-21(34-22)16-10-2 9-13-30-11-16/h3-13H,1-2H 3,(H,32,37)(H,33,34,35); QRWLLJMNPVOXLQ-UHFFFAOYSA-N |
Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cncnc4)C)C( =O)Nc5cccc(c5)C(F)(F)F; Cn1ncc2c(Nc3cc(c cc3C)C(=O)Nc4cccc(c4)C(F)(F)F)nc(nc12)c5 cncnc5 |
4-methyl-3-[(1-methyl-6-pyrimidin-5-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide |
| 21408 | G0F | 3 | C12 H21 N2 O5 P S | InChI=1S/C12H21N2O5PS/c1- 9-12(15)11(7-13-4-3-5-21- 2)10(6-14-9)8-19-20(16,17 )18/h6,13,15H,3-5,7-8H2,1 -2H3,(H2,16,17,18); AGFAHJKGUOFCGH-UHFFFAOYSA-N |
Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCSC)O; CSCC CNCc1c(O)c(C)ncc1CO[P](O)(O)=O |
[6-methyl-4-[(3-methylsulfanylpropylamino)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate |
| 21409 | G0G CHEMBL1196991 ZINC000016052392 |
2 | C30 H31 N3 O4 S2 | InChI=1S/C30H31N3O4S2/c34 -38(35,27-17-9-3-10-18-27 )32(23-25-13-5-1-6-14-25) 29-21-31-22-30(29)33(24-2 6-15-7-2-8-16-26)39(36,37 )28-19-11-4-12-20-28/h1-2 0,29-31H,21-24H2/t29-,30- /m0/s1; FEURULQIDNOEMF-KYJUHHDHSA-N |
O=S(=O)(N(C3C(N(Cc1ccccc1)S(=O)(=O)c2ccc cc2)CNC3)Cc4ccccc4)c5ccccc5; O=[S](=O)(N (Cc1ccccc1)[C@H]2CNC[C@@H]2N(Cc3ccccc3)[ S](=O)(=O)c4ccccc4)c5ccccc5; c1ccc(cc1)C N(C2CNCC2N(Cc3ccccc3)S(=O)(=O)c4ccccc4)S (=O)(=O)c5ccccc5; O=[S](=O)(N(Cc1ccccc1) [CH]2CNC[CH]2N(Cc3ccccc3)[S](=O)(=O)c4cc ccc4)c5ccccc5; c1ccc(cc1)CN([C@H]2CNC[C@ @H]2N(Cc3ccccc3)S(=O)(=O)c4ccccc4)S(=O)( =O)c5ccccc5 |
N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(N-BENZYLBENZENESULFONAMIDE) |
| 21410 | G0H | 1 | C28 H20 F3 N5 O | InChI=1S/C28H20F3N5O/c1-1 7-11-12-18(27(37)33-21-8- 4-7-20(15-21)28(29,30)31) 14-24(17)35-26-22-9-2-3-1 0-23(22)34-25(36-26)19-6- 5-13-32-16-19/h2-16H,1H3, (H,33,37)(H,34,35,36); IGEHRXWXMHBWMM-UHFFFAOYSA-N |
Cc1ccc(cc1Nc2nc(nc3ccccc23)c4cccnc4)C(=O )Nc5cccc(c5)C(F)(F)F; Cc1ccc(cc1Nc2c3ccc cc3nc(n2)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F )F |
4-methyl-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide |
| 21411 | G0I CHEMBL5193585 |
1 | C17 H24 N4 O S | InChI=1S/C17H24N4OS/c1-4- 13-16(12(3)22)11(2)19-17( 13)14-10-23-15(20-14)9-21 -7-5-18-6-8-21/h10,18-19H ,4-9H2,1-3H3; CWHYBFBVUSCTHI-UHFFFAOYSA-N |
CCc1c([nH]c(C)c1C(C)=O)c2csc(CN3CCNCC3)n 2; CCc1c(c([nH]c1c2csc(n2)CN3CCNCC3)C)C( =O)C |
1-[4-ethyl-2-methyl-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone |
| 21412 | G0J | 1 | C29 H36 N4 O3 | InChI=1S/C29H36N4O3/c1-29 (2,3)36-28(35)33-25(17-22 -11-6-4-7-12-22)21-31-26( 18-23-13-8-5-9-14-23)27(3 4)32-20-24-15-10-16-30-19 -24/h4-16,19,25-26,31H,17 -18,20-21H2,1-3H3,(H,32,3 4)(H,33,35)/t25-,26+/m0/s 1; RLXQYSRXFSZPNG-IZZNHLLZSA-N |
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN[C@H]( Cc2ccccc2)C(=O)NCc3cccnc3; CC(C)(C)OC(=O )N[C@H](CN[C@H](Cc1ccccc1)C(=O)NCc2cccnc 2)Cc3ccccc3; CC(C)(C)OC(=O)N[CH](CN[CH]( Cc1ccccc1)C(=O)NCc2cccnc2)Cc3ccccc3; CC( C)(C)OC(=O)NC(Cc1ccccc1)CNC(Cc2ccccc2)C( =O)NCc3cccnc3; C(=O)(C(Cc1ccccc1)NCC(NC( =O)OC(C)(C)C)Cc2ccccc2)NCc3cccnc3 |
Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[(pyridin-3-yl)methyl]-D-phenylalaninamide |
| 21413 | G0K | 1 | C27 H19 F3 N6 O | InChI=1S/C27H19F3N6O/c1-1 6-9-10-17(26(37)33-20-7-2 -6-19(14-20)27(28,29)30)1 3-22(16)34-25-21-8-4-12-3 2-24(21)35-23(36-25)18-5- 3-11-31-15-18/h2-15H,1H3, (H,33,37)(H,32,34,35,36); SNMQSFPKJXPDDI-UHFFFAOYSA-N |
Cc1ccc(cc1Nc2nc(nc3ncccc23)c4cccnc4)C(=O )Nc5cccc(c5)C(F)(F)F; Cc1ccc(cc1Nc2c3ccc nc3nc(n2)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F )F |
4-methyl-3-[(2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide |
| 21414 | G0M | 1 | C29 H35 N3 O3 S | InChI=1S/C29H35N3O3S/c1-2 9(2,3)35-28(34)32-25(17-2 2-11-6-4-7-12-22)21-36-26 (18-23-13-8-5-9-14-23)27( 33)31-20-24-15-10-16-30-1 9-24/h4-16,19,25-26H,17-1 8,20-21H2,1-3H3,(H,31,33) (H,32,34)/t25-,26+/m0/s1; DPUYQVBTNSUNNA-IZZNHLLZSA-N |
CC(C)(C)OC(=O)N[C@H](CS[C@H](Cc1ccccc1)C (=O)NCc2cccnc2)Cc3ccccc3; C(SC(Cc1ccccc1 )C(=O)NCc2cnccc2)C(Cc3ccccc3)NC(=O)OC(C) (C)C; CC(C)(C)OC(=O)NC(Cc1ccccc1)CSC(Cc2 ccccc2)C(=O)NCc3cccnc3; CC(C)(C)OC(=O)N[ C@@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)N Cc3cccnc3; CC(C)(C)OC(=O)N[CH](CS[CH](Cc 1ccccc1)C(=O)NCc2cccnc2)Cc3ccccc3 |
tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
| 21415 | G0N | 1 | C28 H20 F3 N7 O | InChI=1S/C28H20F3N7O/c1-1 7-5-6-20(26(39)34-22-4-2- 3-21(16-22)28(29,30)31)15 -23(17)35-27-37-24(18-7-1 1-32-12-8-18)36-25(38-27) 19-9-13-33-14-10-19/h2-16 H,1H3,(H,34,39)(H,35,36,3 7,38); QRGMMQTYOVICBC-UHFFFAOYSA-N |
Cc1ccc(cc1Nc2nc(nc(n2)c3ccncc3)c4ccncc4) C(=O)Nc5cccc(c5)C(F)(F)F |
3-[(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide |
| 21416 | G0O | 2 | C11 H13 N5 O S | InChI=1S/C11H13N5OS/c1-7( 6-18)11(17)12-9-4-2-3-8(5 -9)10-13-15-16-14-10/h2-5 ,7,18H,6H2,1H3,(H,12,17)( H,13,14,15,16)/t7-/m1/s1; ZUTCRKIDPCRTLZ-SSDOTTSWSA-N |
C[CH](CS)C(=O)Nc1cccc(c1)c2n[nH]nn2; CC( CS)C(=O)Nc1cccc(c1)c2n[nH]nn2; C[C@H](CS )C(=O)Nc1cccc(c1)c2n[nH]nn2 |
(S)-N-(3-(2H-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide |
| 21417 | G0P ZINC000263620451 |
4 | C23 H35 N3 O8 | InChI=1S/C23H35N3O8/c24-1 0-2-1-5-16(22(32)26-11-3- 4-12-26)25-21(31)14-6-8-1 5(9-7-14)33-23-20(30)19(2 9)18(28)17(13-27)34-23/h6 -9,16-20,23,27-30H,1-5,10 -13,24H2,(H,25,31)/t16-,1 7+,18-,19-,20+,23+/m0/s1; GCYOKNSMKQYQAG-YWAVYKJCSA-N |
NCCCC[C@H](NC(=O)c1ccc(O[C@@H]2O[C@H](CO )[C@H](O)[C@H](O)[C@H]2O)cc1)C(=O)N3CCCC 3; NCCCC[CH](NC(=O)c1ccc(O[CH]2O[CH](CO) [CH](O)[CH](O)[CH]2O)cc1)C(=O)N3CCCC3; C 1CCCN1C(=O)C(CCCCN)NC(=O)c2ccc(cc2)OC3OC (CO)C(C(C3O)O)O; c1cc(ccc1C(=O)NC(CCCCN) C(=O)N2CCCC2)OC3C(C(C(C(O3)CO)O)O)O; c1c c(ccc1C(=O)N[C@@H](CCCCN)C(=O)N2CCCC2)O[ C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O) O |
N-[(2S)-6-amino-1-oxo-1-(pyrrolidin-1-yl)hexan-2-yl]-4-(beta-D-galactopyranosyloxy)benzamide |
| 21418 | G0Q | 1 | C25 H20 Cl N7 O | InChI=1S/C25H20ClN7O/c1-1 5-8-9-16(25(34)29-19-7-3- 6-18(26)12-19)11-21(15)30 -23-20-14-28-33(2)24(20)3 2-22(31-23)17-5-4-10-27-1 3-17/h3-14H,1-2H3,(H,29,3 4)(H,30,31,32); VGMNSQKPXFXZPZ-UHFFFAOYSA-N |
Cn1ncc2c(Nc3cc(ccc3C)C(=O)Nc4cccc(Cl)c4) nc(nc12)c5cccnc5; Cc1ccc(cc1Nc2c3cnn(c3n c(n2)c4cccnc4)C)C(=O)Nc5cccc(c5)Cl |
~{N}-(3-chlorophenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide |
| 21419 | G0R ZINC000001529357 |
2 | C7 H16 N4 O | InChI=1S/C7H16N4O/c1-6(12 )10-4-2-3-5-11-7(8)9/h2-5 H2,1H3,(H,10,12)(H4,8,9,1 1); JMACEDIUUMWDIC-UHFFFAOYSA-N |
CC(=O)NCCCCNC(=N)N; [H]/N=C(/N)\NCCCCNC( =O)C; CC(=O)NCCCCNC(N)=N |
N-(4-carbamimidamidobutyl)ethanamide |
| 21420 | G0S ZINC000059874097 |
2 | C9 H16 O7 S | InChI=1S/C9H16O7S/c10-3-4 -6(13)7(14)8(15)9(16-4)17 -2-1-5(11)12/h4,6-10,13-1 5H,1-3H2,(H,11,12)/t4-,6+ ,7+,8-,9+/m1/s1; XMQYQVUZHDCFEM-MRCFXUCSSA-N |
OC[CH]1O[CH](SCCC(O)=O)[CH](O)[CH](O)[CH ]1O; OC[C@H]1O[C@@H](SCCC(O)=O)[C@H](O)[ C@@H](O)[C@H]1O; O=C(O)CCSC1OC(C(O)C(O)C 1O)CO; C(CSC1C(C(C(C(O1)CO)O)O)O)C(=O)O; C(CS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C O)O)O)O)C(=O)O |
3-(beta-D-galactopyranosylthio)propanoic acid; 3-(beta-D-galactosylthio)propanoic acid; 3-(D-galactosylthio)propanoic acid; 3-(galactosylthio)propanoic acid |
| 21421 | G0T ZINC000098208916 |
4 | C30 H32 N2 O8 | InChI=1S/C30H32N2O8/c1-32 (16-20-5-3-4-6-24(20)29(3 5)31-15-19-7-10-22(38-2)1 1-8-19)17-21-9-13-25-28(2 7(21)30(36)37)39-18-23(40 -25)12-14-26(33)34/h3-11, 13,23H,12,14-18H2,1-2H3,( H,31,35)(H,33,34)(H,36,37 )/t23-/m0/s1; HEOWDABLEHTSBE-QHCPKHFHSA-N |
CN(Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3ccc4c (c3C(=O)O)OC[C@@H](O4)CCC(=O)O; O=C(NCc1 ccc(OC)cc1)c2ccccc2CN(C)Cc4ccc3OC(COc3c4 C(=O)O)CCC(=O)O; COc1ccc(CNC(=O)c2ccccc2 CN(C)Cc3ccc4O[C@@H](CCC(O)=O)COc4c3C(O)= O)cc1; CN(Cc1ccccc1C(=O)NCc2ccc(cc2)OC)C c3ccc4c(c3C(=O)O)OCC(O4)CCC(=O)O; COc1cc c(CNC(=O)c2ccccc2CN(C)Cc3ccc4O[CH](CCC(O )=O)COc4c3C(O)=O)cc1 |
(2S)-2-(3-hydroxy-3-oxopropyl)-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methyl-amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid |
| 21422 | G0U CHEMBL5079244 |
1 | C24 H27 N7 O2 | InChI=1S/C24H27N7O2/c1-33 -19-11-17(31-10-4-7-20(31 )32)8-9-18(19)28-24-29-22 (26-13-15-5-2-3-6-15)21-1 6(12-25)14-27-23(21)30-24 /h8-9,11,14-15H,2-7,10,13 H2,1H3,(H3,26,27,28,29,30 ); HNTNJDLDWXMVRF-UHFFFAOYSA-N |
COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NCC 4CCCC4)N5CCCC5=O; COc1cc(ccc1Nc2nc(NCC3C CCC3)c4c([nH]cc4C#N)n2)N5CCCC5=O |
4-(cyclopentylmethylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| 21423 | G0V CHEMBL4644634 |
1 | C30 H37 N3 O3 S | InChI=1S/C30H37N3O3S/c1-3 0(2,3)36-29(35)33-26(19-2 3-11-6-4-7-12-23)22-37-27 (20-24-13-8-5-9-14-24)28( 34)32-18-16-25-15-10-17-3 1-21-25/h4-15,17,21,26-27 H,16,18-20,22H2,1-3H3,(H, 32,34)(H,33,35)/t26-,27-/ m1/s1; WMAJRQYZQMKYGY-KAYWLYCHSA-N |
CC(C)(C)OC(=O)NC(Cc1ccccc1)CSC(Cc2ccccc2 )C(=O)NCCc3cccnc3; CC(C)(C)OC(=O)N[C@H]( Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCc3cc cnc3; CC(C)(C)OC(=O)N[C@@H](CS[C@H](Cc1c cccc1)C(=O)NCCc2cccnc2)Cc3ccccc3; CC(OC( NC(Cc1ccccc1)CSC(C(=O)NCCc2cccnc2)Cc3ccc cc3)=O)(C)C; CC(C)(C)OC(=O)N[CH](CS[CH]( Cc1ccccc1)C(=O)NCCc2cccnc2)Cc3ccccc3 |
tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
| 21424 | G0W CHEMBL3623902 ZINC000150383719 |
6 | C37 H56 N6 O6 | InChI=1S/C37H56N6O6/c1-6- 42(7-2,29-32-20-12-14-22- 34(32)40(46)47)26-18-10-1 6-24-38-31(5)28-36(44)39( 37(38)45)25-17-11-19-27-4 3(8-3,9-4)30-33-21-13-15- 23-35(33)41(48)49/h12-15, 20-23,28H,6-11,16-19,24-2 7,29-30H2,1-5H3/q+2; WLTAFWKKNBLBHO-UHFFFAOYSA-N |
CC[N+](CC)(CCCCCN1C(=CC(=O)N(CCCCC[N+](C C)(CC)Cc2ccccc2[N+]([O-])=O)C1=O)C)Cc3cc ccc3[N+]([O-])=O; CC[N+](CC)(CCCCCN1C(=C C(=O)N(C1=O)CCCCC[N+](CC)(CC)Cc2ccccc2[N +](=O)[O-])C)Cc3ccccc3[N+](=O)[O-] |
1,3-BIS[5(DIETHYL-O-NITROBENZYLAMMONIUM)PENTYL]-6-METHYLURACIL |
| 21425 | G0X | 1 | C19 H14 Cl4 N2 O3 | InChI=1S/C19H14Cl4N2O3/c2 0-10-6-4-9(5-7-10)8-24-16 -14(21)17(25-19(23)15(16) 22)18(28)13-11(26)2-1-3-1 2(13)27/h4-7,26H,1-3,8H2, (H,24,25); MQJYIBCWAJRDCH-UHFFFAOYSA-N |
c1cc(ccc1CNc2c(c(nc(c2Cl)Cl)C(=O)C3=C(CC CC3=O)O)Cl)Cl; OC1=C(C(=O)CCC1)C(=O)c2nc (Cl)c(Cl)c(NCc3ccc(Cl)cc3)c2Cl |
3-oxidanyl-2-[3,5,6-tris(chloranyl)-4-[(4-chlorophenyl)methylamino]pyridin-2-yl]carbonyl-cyclohex-2-en-1-one |
| 21426 | G0Y CHEMBL4639033 |
1 | C30 H37 N3 O3 S | InChI=1S/C30H37N3O3S/c1-3 0(2,3)36-29(35)33-26(19-2 3-11-6-4-7-12-23)22-37-27 (20-24-13-8-5-9-14-24)28( 34)32-18-16-25-15-10-17-3 1-21-25/h4-15,17,21,26-27 H,16,18-20,22H2,1-3H3,(H, 32,34)(H,33,35)/t26-,27+/ m1/s1; WMAJRQYZQMKYGY-SXOMAYOGSA-N |
CC(C)(C)OC(=O)NC(Cc1ccccc1)CSC(Cc2ccccc2 )C(=O)NCCc3cccnc3; CC(C)(C)OC(=O)N[C@H]( Cc1ccccc1)CS[C@@H](Cc2ccccc2)C(=O)NCCc3c ccnc3; CC(C)(C)OC(=O)N[C@@H](CS[C@@H](Cc 1ccccc1)C(=O)NCCc2cccnc2)Cc3ccccc3; CC(C )(C)OC(=O)N[CH](CS[CH](Cc1ccccc1)C(=O)NC Cc2cccnc2)Cc3ccccc3; C(C(Cc1ccccc1)NC(OC (C)(C)C)=O)SC(C(=O)NCCc2cccnc2)Cc3ccccc3 |
tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
| 21427 | G0Z | 4 | C31 H45 N15 O22 P4 S | InChI=1S/C31H45N15O22P4S/ c1-43-9-46(26-15(43)27(52 )42-31(34)41-26)29-19(50) 17(48)11(64-29)3-61-70(55 ,56)67-72(59,73)68-71(57, 58)62-4-12-21(20(51)30(65 -12)45-8-40-14-23(33)36-6 -38-25(14)45)66-69(53,54) 60-2-10-16(47)18(49)28(63 -10)44-7-39-13-22(32)35-5 -37-24(13)44/h5-8,10-13,1 6-21,24,28-30,47-51H,2-4, 9H2,1H3,(H,53,54)(H,55,56 )(H,57,58)(H,59,73)(H2,32 ,35,37)(H2,33,36,38)(H3,3 4,41,42,52)/t10-,11-,12-, 13?,16-,17-,18-,19-,20-,2 1-,24?,28-,29-,30-,72-/m1 /s1; COVMLUYPZIGUSP-PEDZGMCBSA-N |
CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP( =O)(O)OP(=O)(OP(=O)(O)OCC4C(C(C(O4)n5cnc 6c5ncnc6N)O)OP(=O)(O)OCC7C(C(C(O7)N8C=NC 9C8N=CN=C9N)O)O)S)O)O; CN1CN([CH]2O[CH]( CO[P](O)(=O)O[P](S)(=O)O[P](O)(=O)OC[CH] 3O[CH]([CH](O)[CH]3O[P](O)(=O)OC[CH]4O[C H]([CH](O)[CH]4O)N5C=NC6C5N=CN=C6N)n7cnc 8c(N)ncnc78)[CH](O)[CH]2O)C9=C1C(=O)NC(= N9)N; CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@ @H]([C@@H]([C@H](O3)COP(=O)(O)O[P@](=O)( OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4) n5cnc6c5ncnc6N)O)OP(=O)(O)OC[C@@H]7[C@H] ([C@H]([C@@H](O7)N8C=NC9C8N=CN=C9N)O)O)S )O)O; CN1CN([C@@H]2O[C@H](CO[P](O)(=O)O[ P@](S)(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H ](O)[C@@H]3O[P](O)(=O)OC[C@H]4O[C@H]([C@ H](O)[C@@H]4O)N5C=NC6C5N=CN=C6N)n7cnc8c( N)ncnc78)[C@@H](O)[C@H]2O)C9=C1C(=O)NC(= N9)N |
[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-4,5-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
| 21428 | G10 CHEMBL3577575 ZINC000224699399 |
6 | C27 H35 F2 N3 O7 S | InChI=1S/C27H35F2N3O7S/c1 -17(2)13-32(40(35,36)20-1 0-8-19(30)9-11-20)14-22(3 3)21(12-18-6-4-3-5-7-18)3 1-26(34)39-23-15-37-25-24 (23)27(28,29)16-38-25/h3- 11,17,21-25,33H,12-16,30H 2,1-2H3,(H,31,34)/t21-,22 +,23-,24-,25-/m0/s1; UQYAKJSDOQPRAX-YCXOGWGTSA-N |
CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[C H]2CO[CH]3OCC(F)(F)[CH]23)[S](=O)(=O)c4c cc(N)cc4; FC3(F)C4C(OC(=O)NC(Cc1ccccc1)C (O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)COC4OC 3; CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C 2C(CO3)(F)F)O)S(=O)(=O)c4ccc(cc4)N; CC(C )CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@ H]2CO[C@H]3OCC(F)(F)[C@@H]23)[S](=O)(=O) c4ccc(N)cc4; CC(C)CN(C[C@H]([C@H](Cc1ccc cc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2C(CO3)(F )F)O)S(=O)(=O)c4ccc(cc4)N |
(3R,3aS,6aS)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate |
| 21429 | G11 CHEMBL1232887 ZINC000044676220 |
1 | C21 H23 N3 O2 | InChI=1S/C21H23N3O2/c1-13 -2-5-15(21(26)24-17-7-8-1 7)10-18(13)19-9-6-16(12-2 2-19)20(25)23-11-14-3-4-1 4/h2,5-6,9-10,12,14,17H,3 -4,7-8,11H2,1H3,(H,23,25) (H,24,26); WIXHEGLMUQGJCC-UHFFFAOYSA-N |
O=C(NC1CC1)c2cc(c(cc2)C)c3ncc(cc3)C(=O)N CC4CC4; Cc1ccc(cc1c2ccc(cn2)C(=O)NCC3CC3 )C(=O)NC4CC4 |
6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide |
| 21430 | G12 CHEMBL273101 DB07802 ZINC000000264281 |
1 | C10 H6 Br2 O3 | InChI=1S/C10H6Br2O3/c1-4- 5-2-3-6(13)8(12)9(5)15-10 (14)7(4)11/h2-3,13H,1H3; MSOLROYRAHCJNK-UHFFFAOYSA-N |
CC1=C(C(=O)Oc2c1ccc(c2Br)O)Br; CC1=C(Br) C(=O)Oc2c(Br)c(O)ccc12; Brc2c(O)ccc1c2OC (=O)C(Br)=C1C |
3,8-DIBROMO-7-HYDROXY-4-METHYL-2H-CHROMEN-2-ONE; 3,8-DIBROMO-7-HYDROXY-4-METHYLCHROMEN-2-ONE |
| 21431 | G13 CHEMBL511444 ZINC000040896204 |
2 | C28 H38 N4 O3 | InChI=1S/C28H38N4O3/c1-17 (29-5)25(33)31-24(28(2,3) 4)27(35)32-16-15-19-13-14 -22(23(19)32)30-26(34)21- 12-8-10-18-9-6-7-11-20(18 )21/h6-12,17,19,22-24,29H ,13-16H2,1-5H3,(H,30,34)( H,31,33)/t17-,19+,22-,23- ,24+/m0/s1; FTXKVJPIFDKIID-YBAXTEPTSA-N |
CN[CH](C)C(=O)N[CH](C(=O)N1CC[CH]2CC[CH] (NC(=O)c3cccc4ccccc34)[CH]12)C(C)(C)C; C N[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[ C@H](NC(=O)c3cccc4ccccc34)[C@@H]12)C(C)( C)C; CC(C(=O)NC(C(=O)N1CCC2C1C(CC2)NC(=O )c3cccc4c3cccc4)C(C)(C)C)NC; C[C@@H](C(= O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2 )NC(=O)c3cccc4c3cccc4)C(C)(C)C)NC |
N-[(3aR,6S,6aS)-1-(N-methyl-L-alanyl-3-methyl-L-valyl)octahydrocyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide |
| 21432 | G14 CHEMBL1232889 DB07803 ZINC000000164985 |
3 | C10 H8 N2 O2 | InChI=1S/C10H8N2O2/c13-10 (14)8-6-11-9(12-8)7-4-2-1 -3-5-7/h1-6H,(H,11,12)(H, 13,14); XCAXKZJNJCKTQH-UHFFFAOYSA-N |
O=C(O)c2nc(c1ccccc1)nc2; c1ccc(cc1)c2[nH ]cc(n2)C(=O)O; OC(=O)c1c[nH]c(n1)c2ccccc 2 |
2-phenyl-1H-imidazole-4-carboxylic acid |
| 21433 | G15 CHEMBL220513 DB07804 ZINC000016052224 |
1 | C17 H21 Cl N6 O5 S2 | InChI=1S/C17H21ClN6O5S2/c 1-10(15(25)23-6-8-29-9-7- 23)24-5-4-11(16(24)26)22- 31(27,28)17-19-14(20-21-1 7)12-2-3-13(18)30-12/h2-3 ,10-11,22H,4-9H2,1H3,(H,1 9,20,21)/t10-,11-/m0/s1; FKCQUVAGEOSYRU-QWRGUYRKSA-N |
C[CH](N1CC[CH](N[S](=O)(=O)c2n[nH]c(n2)c 3sc(Cl)cc3)C1=O)C(=O)N4CCOCC4; C[C@@H](C (=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c 3nc([nH]n3)c4ccc(s4)Cl; Clc4sc(c1nc(nn1) S(=O)(=O)NC3C(=O)N(C(C(=O)N2CCOCC2)C)CC3 )cc4; C[C@H](N1CC[C@H](N[S](=O)(=O)c2n[n H]c(n2)c3sc(Cl)cc3)C1=O)C(=O)N4CCOCC4; C C(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)c3n c([nH]n3)c4ccc(s4)Cl |
5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE |
| 21434 | G16 | 23 | C6 H13 O12 P2 | InChI=1S/C6H14O12P2/c7-3- 2(1-16-19(10,11)12)17-6(5 (9)4(3)8)18-20(13,14)15/h 2-9H,1H2,(H2,10,11,12)(H2 ,13,14,15)/p-1/t2-,3-,4+, 5-,6-/m1/s1; RWHOZGRAXYWRNX-VFUOTHLCSA-M |
O[C@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@ H](O[P](O)([O-])=O)[C@@H]1O; O=P([O-])(O C1OC(C(O)C(O)C1O)COP(=O)(O)O)O; O[CH]1[C H](O)[CH](CO[P](O)(O)=O)O[CH](O[P](O)([O -])=O)[CH]1O; C(C1C(C(C(C(O1)OP(=O)(O)[O -])O)O)O)OP(=O)(O)O; C([C@@H]1[C@H]([C@@ H]([C@H]([C@H](O1)O[P@](=O)(O)[O-])O)O)O )OP(=O)(O)O |
1,6-di-O-phosphono-alpha-D-glucopyranose; ALPHA-D-GLUCOSE 1,6-BISPHOSPHATE; 1,6-di-O-phosphono-alpha-D-glucose; 1,6-di-O-phosphono-D-glucose; 1,6-di-O-phosphono-glucose |
| 21435 | G17 ZINC000095921143 |
1 | C26 H21 F3 N4 O | InChI=1S/C26H21F3N4O/c1-1 5-5-7-21(31-24(34)17-3-2- 4-19(12-17)26(27,28)29)13 -22(15)16-6-10-23-18(11-1 6)14-30-25(33-23)32-20-8- 9-20/h2-7,10-14,20H,8-9H2 ,1H3,(H,31,34)(H,30,32,33 ); BYBFDHQBBWQPTD-UHFFFAOYSA-N |
FC(F)(F)c1cccc(c1)C(=O)Nc5cc(c4cc2c(nc(n c2)NC3CC3)cc4)c(cc5)C; Cc1ccc(NC(=O)c2cc cc(c2)C(F)(F)F)cc1c3ccc4nc(NC5CC5)ncc4c3 ; Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC4CC4)NC( =O)c5cccc(c5)C(F)(F)F |
N-{3-[2-(cyclopropylamino)quinazolin-6-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide |
| 21436 | G18 CHEMBL3108871 ZINC000000003266 |
6 | C11 H7 N O S | InChI=1S/C11H7NOS/c13-10- 8-4-2-1-3-7(8)9-5-6-14-11 (9)12-10/h1-6H,(H,12,13); LQJVOLSLAFIXSV-UHFFFAOYSA-N |
c1ccc2c(c1)-c3ccsc3NC2=O; O=C1Nc2sccc2c3 ccccc13; O=C2c3c(c1c(scc1)N2)cccc3 |
4H-thieno[2,3-c]isoquinolin-5-one |
| 21437 | G19 ZINC000058660879 |
0 | C26 H34 N4 O6 | InChI=1S/C26H34N4O6/c1-6- 24(4)12-17(36-23(35)28-22 (34)15-7-8-18(27)30-29-15 )25(5)13(2)9-10-26(14(3)2 1(24)33)11-16(31)19(32)20 (25)26/h6-10,13-14,16-17, 20-21,31,33H,1,11-12H2,2- 5H3,(H2,27,30)(H,28,34,35 )/t13-,14+,16+,17-,20+,21 +,24-,25+,26+/m1/s1; UQIPGFDHSLPFHW-YEAQTOLVSA-N |
CC1C=CC23CC(C(=O)C2C1(C(CC(C(C3C)O)(C)C= C)OC(=O)NC(=O)c4ccc(nn4)N)C)O; O=C(c1nnc (N)cc1)NC(=O)OC4CC(\C=C)(C)C(O)C(C)C23C= CC(C)C4(C)C3C(=O)C(O)C2; C[C@@H]1C=C[C@@ ]23C[C@@H](C(=O)[C@H]2[C@@]1([C@@H](C[C@ @]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)NC(=O)c 4ccc(nn4)N)C)O; C[CH]1C=C[C]23C[CH](O)C( =O)[CH]2[C]1(C)[CH](C[C](C)(C=C)[CH](O)[ CH]3C)OC(=O)NC(=O)c4ccc(N)nn4; C[C@@H]1C =C[C@@]23C[C@H](O)C(=O)[C@H]2[C@]1(C)[C@ @H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(= O)NC(=O)c4ccc(N)nn4 |
(2S,3AR,4R,5S,6S,8R,9R,9AR,10R)-2,5-DIHYDROXY-4,6,9,10-TETRAMETHYL-1-OXO-6-VINYLDECAHYDRO-3A,9-PROP[1]ENOCYCLOPENTA[8]ANNULEN-8-YL [(6-AMINOPYRIDAZIN-3-YL)CARBONYL]CARBAMATE |
| 21438 | G1C ZINC000058650330 |
2 | C11 H17 Cl N5 O12 P3 | InChI=1S/C11H17ClN5O12P3/ c12-10(30(20,21)22)31(23, 24)29-32(25,26)27-2-5-4(1 8)1-6(28-5)17-3-14-7-8(17 )15-11(13)16-9(7)19/h3-6, 10,18H,1-2H2,(H,23,24)(H, 25,26)(H2,20,21,22)(H3,13 ,15,16,19)/t4-,5+,6+,10-/ m0/s1; GBPRSSRXOIDBNV-KQQCLRPBSA-N |
O=P(O)(O)C(Cl)P(=O)(O)OP(=O)(O)OCC3OC(n2 cnc1c2N=C(N)NC1=O)CC3O; c1nc2c(n1[C@H]3C [C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)( [C@H](P(=O)(O)O)Cl)O)O)N=C(NC2=O)N; NC1= Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](C O[P](O)(=O)O[P](O)(=O)[C@@H](Cl)[P](O)(O )=O)O3; c1nc2c(n1C3CC(C(O3)COP(=O)(O)OP( =O)(C(P(=O)(O)O)Cl)O)O)N=C(NC2=O)N; NC1= Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P] (O)(=O)O[P](O)(=O)[CH](Cl)[P](O)(O)=O)O3 |
5'-O-[(R)-{[(S)-[(S)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine |
| 21439 | G1D | 1 | C30 H38 N4 O3 | InChI=1S/C30H38N4O3/c1-30 (2,3)37-29(36)34-26(19-23 -11-6-4-7-12-23)22-33-27( 20-24-13-8-5-9-14-24)28(3 5)32-18-16-25-15-10-17-31 -21-25/h4-15,17,21,26-27, 33H,16,18-20,22H2,1-3H3,( H,32,35)(H,34,36)/t26-,27 +/m0/s1; YWYQRVKPXANWKY-RRPNLBNLSA-N |
C(=O)(C(NCC(Cc1ccccc1)NC(=O)OC(C)(C)C)Cc 2ccccc2)NCCc3cccnc3; CC(C)(C)OC(=O)N[CH] (CN[CH](Cc1ccccc1)C(=O)NCCc2cccnc2)Cc3cc ccc3; CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN [C@H](Cc2ccccc2)C(=O)NCCc3cccnc3; CC(C)( C)OC(=O)NC(Cc1ccccc1)CNC(Cc2ccccc2)C(=O) NCCc3cccnc3; CC(C)(C)OC(=O)N[C@H](CN[C@H ](Cc1ccccc1)C(=O)NCCc2cccnc2)Cc3ccccc3 |
Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[2-(pyridin-3-yl)ethyl]-D-phenylalaninamide |
| 21440 | G1E CHEMBL4645095 |
1 | C15 H18 N6 O2 S | InChI=1S/C15H18N6O2S/c1-8 (22)12-13(9-4-10(16)6-18- 5-9)24-15(20-12)21-14(23) 11-7-17-2-3-19-11/h4-6,11 ,17,19H,2-3,7,16H2,1H3,(H ,20,21,23)/t11-/m1/s1; CTUFUQNJXFRTNL-LLVKDONJSA-N |
CC(=O)c1c(sc(n1)NC(=O)[C@H]2CNCCN2)c3cc( cnc3)N; CC(=O)c1nc(NC(=O)[CH]2CNCCN2)sc1 c3cncc(N)c3; CC(=O)c1nc(NC(=O)[C@H]2CNCC N2)sc1c3cncc(N)c3; CC(=O)c1c(sc(n1)NC(=O )C2CNCCN2)c3cc(cnc3)N |
(2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide |
| 21441 | G1G ZINC000098208917 |
1 | C22 H32 N10 O18 P3 | InChI=1S/C22H31N10O18P3/c 1-30-6-32(16-10(30)18(37) 29-22(24)27-16)19-13(35)1 1(33)7(47-19)3-45-51(38,3 9)49-53(42,43)50-52(40,41 )46-4-8-12(34)14(44-2)20( 48-8)31-5-25-9-15(31)26-2 1(23)28-17(9)36/h5-8,11-1 4,19-20,33-35H,3-4H2,1-2H 3,(H8-,23,24,26,27,28,29, 36,37,38,39,40,41,42,43)/ p+1/t7-,8-,11-,12-,13-,14 -,19-,20-/m1/s1; CUWKXCJRSKNYSN-XPWFQUROSA-O |
Cn1c[n+](c2c1C(=O)NC(=N2)N)C3C(C(C(O3)CO P(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n 5cnc6c5N=C(NC6=O)N)OC)O)O)O; Cn1c[n+](c2 c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H ](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O) (O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6 c5N=C(NC6=O)N)OC)O)O)O; CO[C@@H]1[C@H](O )[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P@]( O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n +]3cn(C)c4C(=O)NC(=Nc34)N)O[C@H]1n5cnc6C (=O)NC(=Nc56)N; CO[CH]1[CH](O)[CH](CO[P] (O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH ]([CH](O)[CH]2O)[n+]3cn(C)c4C(=O)NC(=Nc3 4)N)O[CH]1n5cnc6C(=O)NC(=Nc56)N; O=C1NC( =Nc2c1n(c[n+]2C3OC(C(O)C3O)COP(=O)(O)OP( =O)(O)OP(=O)(O)OCC6OC(n5cnc4c5N=C(N)NC4= O)C(OC)C6O)C)N |
7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-GUANOSINE |
| 21442 | G1H | 2 | C16 H16 F3 N3 O4 | InChI=1S/C16H16F3N3O4/c1- 8-4-3-5-9(2)21(8)15-20-14 (23)11-6-10(16(17,18)19)7 -12(22(24)25)13(11)26-15/ h6-9H,3-5H2,1-2H3/t8-,9+; AFGNZAKVTALLAQ-DTORHVGOSA-N |
C[C@@H]1CCC[C@@H](N1C2=NC(=O)c3cc(cc(c3O 2)[N+](=O)[O-])C(F)(F)F)C; CC1CCCC(N1C2= NC(=O)c3cc(cc(c3O2)[N+](=O)[O-])C(F)(F)F )C; C[CH]1CCC[CH](C)N1C2=NC(=O)c3cc(cc(c 3O2)[N+]([O-])=O)C(F)(F)F; C[C@H]1CCC[C@ @H](C)N1C2=NC(=O)c3cc(cc(c3O2)[N+]([O-]) =O)C(F)(F)F |
2-[(2~{S},6~{R})-2,6-dimethylpiperidin-1-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzoxazin-4-one |
| 21443 | G1I | 79 | C11 H15 N O3 | InChI=1S/C11H15NO3/c1-12- 8-4-2-7-6(10(8)14)3-5-9(1 3)11(7)15/h3,5,8,10,12-15 H,2,4H2,1H3/t8-,10-/m1/s1; VJBMHARWYAGTQQ-PSASIEDQSA-N |
CNC1CCc2c(ccc(c2O)O)C1O; CN[C@@H]1CCc2c( O)c(O)ccc2[C@H]1O; CN[CH]1CCc2c(O)c(O)cc c2[CH]1O; CN[C@@H]1CCc2c(ccc(c2O)O)[C@H] 1O |
(5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol |
| 21444 | G1J | 1 | C29 H35 N3 O3 S | InChI=1S/C29H35N3O3S/c1-2 9(2,3)35-28(34)32-25(17-2 2-11-6-4-7-12-22)21-36-26 (18-23-13-8-5-9-14-23)27( 33)31-20-24-15-10-16-30-1 9-24/h4-16,19,25-26H,17-1 8,20-21H2,1-3H3,(H,31,33) (H,32,34)/t25-,26+/m1/s1; DPUYQVBTNSUNNA-FTJBHMTQSA-N |
C(Cc1ccccc1)(C(=O)NCc2cnccc2)SCC(Cc3cccc c3)NC(=O)OC(C)(C)C; CC(C)(C)OC(=O)NC(Cc1 ccccc1)CSC(Cc2ccccc2)C(=O)NCc3cccnc3; CC (C)(C)OC(=O)N[CH](CS[CH](Cc1ccccc1)C(=O) NCc2cccnc2)Cc3ccccc3; CC(C)(C)OC(=O)N[C@ @H](CS[C@@H](Cc1ccccc1)C(=O)NCc2cccnc2)C c3ccccc3; CC(C)(C)OC(=O)N[C@H](Cc1ccccc1 )CS[C@@H](Cc2ccccc2)C(=O)NCc3cccnc3 |
tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
| 21445 | G1K | 1 | C17 H17 N3 O6 | InChI=1S/C17H17N3O6/c21-1 2(9-26-10-5-2-1-3-6-10)20 -8-4-7-11(20)15-18-13(17( 24)25)14(22)16(23)19-15/h 1-3,5-6,11,22H,4,7-9H2,(H ,24,25)(H,18,19,23)/t11-/ m0/s1; IRLMJLDUWBLXBT-NSHDSACASA-N |
c1ccc(cc1)OCC(=O)N2CCC[C@H]2C3=NC(=C(C(= O)N3)O)C(=O)O; c1ccc(cc1)OCC(=O)N2CCCC2C 3=NC(=C(C(=O)N3)O)C(=O)O; C3(NC(C2N(C(CO c1ccccc1)=O)CCC2)=NC(=C3O)C(O)=O)=O; OC( =O)C1=C(O)C(=O)NC(=N1)[CH]2CCCN2C(=O)COc 3ccccc3; OC(=O)C1=C(O)C(=O)NC(=N1)[C@@H] 2CCCN2C(=O)COc3ccccc3 |
5-hydroxy-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxylic acid; SRI-29680 |
| 21446 | G1L CHEMBL463588 DB07805 ZINC000003104468 |
2 | C12 H13 Cl F3 N O | InChI=1S/C12H13ClF3NO/c1- 11(2,7-13)10(18)17-9-5-3- 8(4-6-9)12(14,15)16/h3-6H ,7H2,1-2H3,(H,17,18); QCQZFHOGRCQNIH-UHFFFAOYSA-N |
FC(F)(F)c1ccc(NC(=O)C(C)(C)CCl)cc1; CC(C )(CCl)C(=O)Nc1ccc(cc1)C(F)(F)F |
3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE |
| 21447 | G1M ZINC000058660833 |
1 | C12 H20 N5 O12 P3 | InChI=1S/C12H20N5O12P3/c1 -5(30(20,21)22)31(23,24)2 9-32(25,26)27-3-7-6(18)2- 8(28-7)17-4-14-9-10(17)15 -12(13)16-11(9)19/h4-8,18 H,2-3H2,1H3,(H,23,24)(H,2 5,26)(H2,20,21,22)(H3,13, 15,16,19)/t5-,6+,7-,8-/m1 /s1; KAYWITWNVLLSPS-ULAWRXDQSA-N |
C[CH]([P](O)(O)=O)[P](O)(=O)O[P](O)(=O)O C[CH]1O[CH](C[CH]1O)n2cnc3C(=O)NC(=Nc23) N; O=P(O)(O)C(C)P(=O)(O)OP(=O)(O)OCC3OC( n2cnc1c2N=C(N)NC1=O)CC3O; CC(P(=O)(O)O)P (=O)(O)OP(=O)(O)OCC1C(CC(O1)n2cnc3c2N=C( NC3=O)N)O; C[C@H]([P](O)(O)=O)[P](O)(=O) O[P](O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n2cn c3C(=O)NC(=Nc23)N; C[C@@H]([P@](=O)(O)O[ P@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cn c3c2N=C(NC3=O)N)O)P(=O)(O)O |
2'-deoxy-5'-O-[(R)-hydroxy({(S)-hydroxy[(1R)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]guanosine |
| 21448 | G1N CHEMBL4536585 |
1 | C9 H7 N3 O4 S2 | InChI=1S/C9H7N3O4S2/c13-9 (14)7-8(17-5-11-7)12-18(1 5,16)6-2-1-3-10-4-6/h1-5, 12H,(H,13,14); OLGRJQGVXXCIMN-UHFFFAOYSA-N |
c1cc(cnc1)S(=O)(=O)Nc2c(ncs2)C(=O)O; OC( =O)c1ncsc1N[S](=O)(=O)c2cccnc2 |
5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid |
| 21449 | G1O | 2 | C10 H10 N2 O | InChI=1S/C10H10N2O/c1-6-5 -12-10(13)7-3-2-4-8(11)9( 6)7/h2-5H,11H2,1H3,(H,12, 13); HIQZHQXXBMHINP-UHFFFAOYSA-N |
CC1=CNC(=O)c2cccc(N)c12; O=C1c2cccc(c2C( =CN1)C)N; CC1=CNC(=O)c2c1c(ccc2)N |
5-amino-4-methylisoquinolin-1(2H)-one |
| 21450 | G1P DB02843 ZINC000004073375 |
57 | C6 H13 O9 P | InChI=1S/C6H13O9P/c7-1-2- 3(8)4(9)5(10)6(14-2)15-16 (11,12)13/h2-10H,1H2,(H2, 11,12,13)/t2-,3-,4+,5-,6- /m1/s1; HXXFSFRBOHSIMQ-VFUOTHLCSA-N |
OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O) [CH]1O; O=P(O)(OC1OC(C(O)C(O)C1O)CO)O; C ([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(= O)(O)O)O)O)O)O; OC[C@H]1O[C@H](O[P](O)(O )=O)[C@H](O)[C@@H](O)[C@@H]1O; C(C1C(C(C (C(O1)OP(=O)(O)O)O)O)O)O |
1-O-phosphono-alpha-D-glucopyranose; ALPHA-D-GLUCOSE-1-PHOSPHATE; 1-O-phosphono-alpha-D-glucose; 1-O-phosphono-D-glucose; 1-O-phosphono-glucose |
| 21451 | G1R ZINC000058638482 |
3 | C15 H23 N5 O15 P2 | InChI=1S/C15H23N5O15P2/c1 6-15-18-11-6(12(25)19-15) 17-3-20(11)13-9(23)7(21)4 (33-13)1-31-36(27,28)35-3 7(29,30)32-2-5-8(22)10(24 )14(26)34-5/h3-5,7-10,13- 14,21-24,26H,1-2H2,(H,27, 28)(H,29,30)(H3,16,18,19, 25)/t4-,5-,7+,8-,9-,10-,1 3-,14+/m1/s1; JSQOXYZOPSTQIZ-NQRHNBEYSA-N |
c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O CC4C(C(C(O4)O)O)O)O)O)N=C(NC2=O)N; NC1=N c2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O) (=O)O[P@](O)(=O)OC[C@H]4O[C@H](O)[C@H](O )[C@@H]4O)[C@H](O)[C@H]3O; O=C4NC(=Nc1c4 ncn1C2OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OCC3 OC(O)C(O)C3O)N; c1nc2c(n1[C@H]3[C@@H]([C @H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O C[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N =C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[CH]3O[ CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]( O)[CH](O)[CH]4O)[CH](O)[CH]3O |
[(2R,3R,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4R,5S)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE; GUANOSINE DIPHOSPHORIBOSE |
| 21452 | G1S CHEMBL5072532 |
2 | C26 H33 N6 O7 P | InChI=1S/C26H33N6O7P/c1-5 -36-40(35,37-6-2)17-32-11 -8-23(30-32)29-25(33)19-1 2-20(38-18(3)4)14-21(13-1 9)39-24-16-27-22(15-28-24 )26(34)31-9-7-10-31/h8,11 -16,18H,5-7,9-10,17H2,1-4 H3,(H,29,30,33); OYUDYQMFVRHPIY-UHFFFAOYSA-N |
CCO[P](=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(O c3cnc(cn3)C(=O)N4CCC4)c2)n1)OCC; CCOP(=O )(Cn1ccc(n1)NC(=O)c2cc(cc(c2)OC(C)C)Oc3c nc(cn3)C(=O)N4CCC4)OCC; O=C(N1CCC1)c1ncc (nc1)Oc1cc(cc(OC(C)C)c1)C(=O)Nc1ccn(CP(= O)(OCC)OCC)n1 |
diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1H-pyrazol-1-yl]methyl}phosphonate |
| 21453 | G1T | 4 | C14 H14 F3 N3 O2 S | InChI=1S/C14H14F3N3O2S/c1 5-14(16,17)8-6-9-11(10(7- 8)19-22)23-13(18-12(9)21) 20-4-2-1-3-5-20/h6-7,19,2 2H,1-5H2; NFTFZGDVDRYPDT-UHFFFAOYSA-N |
ONc1cc(cc2C(=O)N=C(Sc12)N3CCCCC3)C(F)(F) F; c1c(cc(c2c1C(=O)N=C(S2)N3CCCCC3)NO)C( F)(F)F |
8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one |
| 21454 | G1U CHEMBL5206608 |
1 | C18 H26 N4 O S | InChI=1S/C18H26N4OS/c1-4- 14-17(12(3)23)11(2)20-18( 14)15-10-24-16(21-15)9-22 -7-5-13(19)6-8-22/h10,13, 20H,4-9,19H2,1-3H3; XYCAHFXOGWMTBZ-UHFFFAOYSA-N |
CCc1c(c([nH]c1c2csc(n2)CN3CCC(CC3)N)C)C( =O)C; CCc1c([nH]c(C)c1C(C)=O)c2csc(CN3CC C(N)CC3)n2 |
1-[5-[2-[(4-azanylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone |
| 21455 | G1V | 4 | C23 H17 Cl4 N5 O3 | InChI=1S/C23H17Cl4N5O3/c2 4-12-3-1-4-13(25)17(12)21 (33)29-16-9-32(23(35)18-1 4(26)5-2-6-15(18)27)31-20 (16)22(34)30-19-10-7-28-8 -11(10)19/h1-6,9-11,19,28 H,7-8H2,(H,29,33)(H,30,34 )/t10-,11+,19+; HZTMZIIFOWDZHC-QEAOQQLJSA-N |
c1cc(c(c(c1)Cl)C(=O)Nc2cn(nc2C(=O)NC3C4C 3CNC4)C(=O)c5c(cccc5Cl)Cl)Cl; Clc1cccc(C l)c1C(=O)Nc2cn(nc2C(=O)NC3[CH]4CNC[CH]34 )C(=O)c5c(Cl)cccc5Cl; c1cc(c(c(c1)Cl)C(= O)Nc2cn(nc2C(=O)NC3[C@H]4[C@@H]3CNC4)C(= O)c5c(cccc5Cl)Cl)Cl; Clc1cccc(Cl)c1C(=O) Nc2cn(nc2C(=O)NC3[C@H]4CNC[C@@H]34)C(=O) c5c(Cl)cccc5Cl |
N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1-[2,6-bis(chloranyl)phenyl]carbonyl-4-[[2,6-bis(chloranyl)phenyl]carbonylamino]pyrazole-3-carboxamide; N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(2,6-dichlorobenzamido)-1-(2,6-dichlorobenzoyl)-1H-pyrazole-3-carboxamide |
| 21456 | G1W CHEMBL2204111 ZINC000095557905 |
1 | C26 H22 F N O6 S | InChI=1S/C26H22FNO6S/c1-3 4-26(31)24-22(15-17-7-10- 20(11-8-17)35(32,33)14-13 -29)25(30)21-12-9-18(27)1 6-23(21)28(24)19-5-3-2-4- 6-19/h2-12,16,29H,13-15H2 ,1H3; RWVFVOHUWIBKDI-UHFFFAOYSA-N |
COC(=O)C1=C(Cc2ccc(cc2)[S](=O)(=O)CCO)C( =O)c3ccc(F)cc3N1c4ccccc4; O=S(=O)(c1ccc( cc1)CC=3C(=O)c2c(cc(F)cc2)N(C=3C(=O)OC)c 4ccccc4)CCO; COC(=O)C1=C(C(=O)c2ccc(cc2N 1c3ccccc3)F)Cc4ccc(cc4)S(=O)(=O)CCO |
methyl 7-fluoro-3-{4-[(2-hydroxyethyl)sulfonyl]benzyl}-4-oxo-1-phenyl-1,4-dihydroquinoline-2-carboxylate |
| 21457 | G1X CHEMBL4804065 |
0 | C9 H9 N O4 | InChI=1S/C9H9NO4/c10-6(9( 13)14)3-5-1-2-7(11)8(12)4 -5/h1-2,4,6H,3,10H2,(H,13 ,14)/t6-/m0/s1; AHMIDUVKSGCHAU-LURJTMIESA-N |
C1=CC(=O)C(=O)C=C1CC(C(=O)O)N; N[CH](CC1 =CC(=O)C(=O)C=C1)C(O)=O; C1=CC(=O)C(=O)C =C1C[C@@H](C(=O)O)N; N[C@@H](CC1=CC(=O)C (=O)C=C1)C(O)=O |
(2S)-2-azanyl-3-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]propanoic acid; L-dopaquinone |
| 21458 | G1Y CHEMBL4277278 |
1 | C20 H19 N3 O | InChI=1S/C20H19N3O/c24-20 (16-7-2-1-3-8-16)21-13-15 -6-4-9-17(12-15)18-14-23- 11-5-10-19(23)22-18/h1-4, 6-9,12,14H,5,10-11,13H2,( H,21,24); OHOWMSISBAWFED-UHFFFAOYSA-N |
O=C(NCc1cccc(c1)c3cn2c(CCC2)n3)c4ccccc4; O=C(NCc1cccc(c1)c2cn3CCCc3n2)c4ccccc4; c1ccc(cc1)C(=O)NCc2cccc(c2)c3cn4c(n3)CCC 4 |
N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide |
| 21459 | G1Z | 0 | C14 H14 F3 N3 O2 S | InChI=1S/C14H14F3N3O2S/c1 5-14(16,17)8-6-9-11(10(7- 8)19-22)23-13(18-12(9)21) 20-4-2-1-3-5-20/h6-7,19,2 2H,1-5H2; NFTFZGDVDRYPDT-UHFFFAOYSA-N |
ONc1cc(cc2C(=O)N=C(Sc12)N3CCCCC3)C(F)(F) F; c1c(cc(c2c1C(=O)N=C(S2)N3CCCCC3)NO)C( F)(F)F |
8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one |
| 21460 | G20 CHEMBL300461 DB03503 ZINC000006380100 |
2 | C14 H23 N5 O5 | InChI=1S/C14H23N5O5/c1-4- 5-19(3)12(21)11-10(17-7(2 )20)8(18-14(15)16)6-9(24- 11)13(22)23/h6,8,10-11H,4 -5H2,1-3H3,(H,17,20)(H,22 ,23)(H4,15,16,18)/t8-,10+ ,11+/m0/s1; QPJWMZVTNXFTKV-JMJZKYOTSA-N |
O=C(O)C=1OC(C(=O)N(CCC)C)C(NC(=O)C)C(NC( =[N@H])N)C=1; CCCN(C)C(=O)[C@@H]1OC(=C[C @H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O; [H]N=C (N)NC1C=C(OC(C1NC(=O)C)C(=O)N(C)CCC)C(=O )O; CCCN(C)C(=O)[CH]1OC(=C[CH](NC(N)=N)[ CH]1NC(C)=O)C(O)=O; [H]/N=C(/N)\N[C@H]1C =C(O[C@H]([C@@H]1NC(=O)C)C(=O)N(C)CCC)C( =O)O |
5-N-acetyl-4-guanidino-6-methyl(propyl) carboxamide-4,5-dihydro-2H-pyran-2-carboxylic acid; 4-ACETYL-4-GUANIDINO-6-METHYL(PROPYL)CARBOXAMIDE-4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID |
| 21461 | G21 ZINC000033821309 |
0 | C20 H29 N3 O5 | InChI=1S/C20H29N3O5/c1-3- 10-23(11-9-14-7-5-4-6-8-1 4)19(25)18-17(22-13(2)24) 15(21)12-16(28-18)20(26)2 7/h4-8,15-18H,3,9-12,21H2 ,1-2H3,(H,22,24)(H,26,27) /t15-,16+,17+,18+/m0/s1; HFHYYLGLPNXPCS-BSDSXHPESA-N |
CCCN(CCc1ccccc1)C(=O)[C@@H]2O[C@H](C[C@H ](N)[C@H]2NC(C)=O)C(O)=O; CCCN(CCc1ccccc 1)C(=O)[CH]2O[CH](C[CH](N)[CH]2NC(C)=O)C (O)=O; O=C(O)C2OC(C(=O)N(CCc1ccccc1)CCC) C(NC(=O)C)C(N)C2; CCCN(CCc1ccccc1)C(=O)C 2C(C(CC(O2)C(=O)O)N)NC(=O)C; CCCN(CCc1cc ccc1)C(=O)[C@H]2[C@@H]([C@H](CC(O2)C(=O) O)N)NC(=O)C |
5-ACETYLAMINO-4-AMINO-6-(PHENETHYLPROPYLCARBAMOYL)5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID |
| 21462 | G23 DB07806 ZINC000003809861 |
2 | C23 H27 N3 O4 S | InChI=1S/C23H27N3O4S/c1-2 3(2)19(22(29)30)26-21(31- 23)18(20(28)24-14-16-11-7 -4-8-12-16)25-17(27)13-15 -9-5-3-6-10-15/h3-12,18-1 9,21,26H,13-14H2,1-2H3,(H ,24,28)(H,25,27)(H,29,30) /t18-,19+,21-/m1/s1; UDMBRVGTYILYDX-SVFBPWRDSA-N |
CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCc2ccc cc2)NC(=O)Cc3ccccc3)C(=O)O)C; O=C(NC(C(= O)NCc1ccccc1)C2SC(C(N2)C(=O)O)(C)C)Cc3cc ccc3; CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(= O)Cc2ccccc2)C(=O)NCc3ccccc3; CC1(C(NC(S1 )C(C(=O)NCc2ccccc2)NC(=O)Cc3ccccc3)C(=O) O)C; CC1(C)S[C@@H](N[C@H]1C(O)=O)[C@H](N C(=O)Cc2ccccc2)C(=O)NCc3ccccc3 |
(2R,4S)-2-[(R)-BENZYLCARBAMOYL-PHENYLACETYL-METHYL]-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID; GR123976 |
| 21463 | G24 DB03788 |
5 | C24 H24 O4 | InChI=1S/C24H24O4/c1-16-1 0-21(28-15-24(26)27)11-17 (2)22(16)14-19-8-9-23(25) 20(13-19)12-18-6-4-3-5-7- 18/h3-11,13,25H,12,14-15H 2,1-2H3,(H,26,27); JYHIGYLGYNCMGI-UHFFFAOYSA-N |
Cc1cc(OCC(O)=O)cc(C)c1Cc2ccc(O)c(Cc3cccc c3)c2; O=C(O)COc1cc(c(c(c1)C)Cc2ccc(O)c( c2)Cc3ccccc3)C; Cc1cc(cc(c1Cc2ccc(c(c2)C c3ccccc3)O)C)OCC(=O)O |
[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-DIMETHYLPHENOXY]ACETIC ACID; GC-24 |
| 21464 | G25 | 0 | C10 H14 N5 O8 P | InChI=1S/C10H14N5O8P/c11- 10-13-7-4(8(18)14-10)12-2 -15(7)9-6(17)5(16)3(23-9) 1-22-24(19,20)21/h2-3,5-6 ,9,16-17H,1H2,(H2,19,20,2 1)(H3,11,13,14,18)/t3-,5- ,6-,9-/m1/s1; RQFCJASXJCIDSX-UUOKFMHZSA-N |
NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P] (O)(O)=O)[C@@H](O)[C@H]3O; NC1=Nc2n(cnc2 C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O) [CH]3O; O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3 O)COP(=O)(O)O; c1nc2c(n1C3C(C(C(O3)COP(= O)(O)O)O)O)N=C(NC2=O)N; c1nc2c(n1[C@H]3[ C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N= C(NC2=O)N |
GUANOSINE-5'-MONOPHOSPHATE |
| 21465 | G26 CHEMBL318814 ZINC000036139649 |
4 | C32 H38 N4 O4 S | InChI=1S/C32H38N4O4S/c1-3 2(2)28(30(40)34-25(21-37) 18-22-12-6-3-7-13-22)36-3 1(41-32)27(29(39)33-20-24 -16-10-5-11-17-24)35-26(3 8)19-23-14-8-4-9-15-23/h3 -17,25,27-28,31,36-37H,18 -21H2,1-2H3,(H,33,39)(H,3 4,40)(H,35,38)/t25-,27-,2 8+,31-/m1/s1; USQYZVYUUXQZHL-IIHCQYLKSA-N |
CC1(C(NC(S1)C(C(=O)NCc2ccccc2)NC(=O)Cc3c cccc3)C(=O)NC(Cc4ccccc4)CO)C; CC1([C@@H] (N[C@H](S1)[C@@H](C(=O)NCc2ccccc2)NC(=O) Cc3ccccc3)C(=O)N[C@H](Cc4ccccc4)CO)C; CC 1(C)S[C@@H](N[C@H]1C(=O)N[C@@H](CO)Cc2cc ccc2)[C@H](NC(=O)Cc3ccccc3)C(=O)NCc4cccc c4; O=C(NC(C(=O)NCc1ccccc1)C2SC(C(N2)C(= O)NC(Cc3ccccc3)CO)(C)C)Cc4ccccc4; CC1(C) S[CH](N[CH]1C(=O)N[CH](CO)Cc2ccccc2)[CH] (NC(=O)Cc3ccccc3)C(=O)NCc4ccccc4 |
2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-METHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID (HYDROXYMETHYL-2-PHENYLETHYL)AMIDE; GR126045 |
| 21466 | G27 CHEMBL213661 DB07807 ZINC000024805808 |
2 | C15 H23 N O3 | InChI=1S/C15H23NO3/c17-11 -13-9-16(10-14(18)15(13)1 9)8-4-7-12-5-2-1-3-6-12/h 1-3,5-6,13-15,17-19H,4,7- 11H2/t13-,14-,15-/m1/s1; NKARZGURZMIRMA-RBSFLKMASA-N |
c1ccc(cc1)CCC[N@@]2C[C@@H]([C@H]([C@@H]( C2)O)O)CO; OCC2CN(CCCc1ccccc1)CC(O)C2O; OC[C@H]1CN(CCCc2ccccc2)C[C@@H](O)[C@@H]1 O; c1ccc(cc1)CCCN2CC(C(C(C2)O)O)CO; OC[C H]1CN(CCCc2ccccc2)C[CH](O)[CH]1O |
(3R,4R,5R)-5-(HYDROXYMETHYL)-1-(3-PHENYLPROPYL)PIPERIDINE-3,4-DIOL |
| 21467 | G28 CHEMBL317645 ZINC000006381741 |
2 | C13 H21 N3 O5 | InChI=1S/C13H21N3O5/c1-4- 16(5-2)12(18)11-10(15-7(3 )17)8(14)6-9(21-11)13(19) 20/h6,8,10-11H,4-5,14H2,1 -3H3,(H,15,17)(H,19,20)/t 8-,10+,11+/m0/s1; YQUCNOUQEZHVSC-JMJZKYOTSA-N |
CCN(CC)C(=O)[CH]1OC(=C[CH](N)[CH]1NC(C)= O)C(O)=O; CCN(CC)C(=O)[C@@H]1OC(=C[C@H]( N)[C@H]1NC(C)=O)C(O)=O; C(O)(=O)C1=CC(C( NC(=O)C)C(O1)C(=O)N(CC)CC)N; CCN(CC)C(=O )C1C(C(C=C(O1)C(=O)O)N)NC(=O)C; CCN(CC)C (=O)[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N)N C(=O)C |
5-N-acetyl-4-amino-6-diethyl carboxamide-4,5-dihydro-2H-pyran-2-carboxylic acid; 5-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID |
| 21468 | G29 CHEMBL2179109 ZINC000095576292 |
1 | C23 H28 O3 | InChI=1S/C23H28O3/c1-4-5- 12-26-20-14-16-17-6-7-21( 25)23(17,3)11-9-18(16)22( 2)10-8-15(24)13-19(20)22/ h8,10,13,16-18,20H,6-7,9, 11-12,14H2,1-3H3/t16-,17- ,18-,20+,22+,23-/m0/s1; GNDYBZKXORBCFO-KVAKACLVSA-N |
CC#CCO[CH]1C[CH]2[CH]3CCC(=O)[C]3(C)CC[C H]2[C]4(C)C=CC(=O)C=C14; CC#CCO[C@@H]1C[ C@H]2[C@@H]3CCC(=O)[C@]3(CC[C@@H]2[C@@]4 (C1=CC(=O)C=C4)C)C; CC#CCOC1CC2C3CCC(=O) C3(CCC2C4(C1=CC(=O)C=C4)C)C; O=C4C3(CCC2 C1(C=CC(=O)C=C1C(OCC#CC)CC2C3CC4)C)C; CC #CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C )CC[C@@H]2[C@@]4(C)C=CC(=O)C=C14 |
(6alpha,8alpha)-6-(but-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione |
| 21469 | G2A ZINC000032840827 |
1 | C23 H46 O4 | InChI=1S/C23H46O4/c1-2-3- 4-5-6-7-8-9-10-11-12-13-1 4-15-16-17-18-19-23(26)27 -22(20-24)21-25/h22,24-25 H,2-21H2,1H3; KECCPKLXQUOWMI-UHFFFAOYSA-N |
O=C(OC(CO)CO)CCCCCCCCCCCCCCCCCCC; CCCCCC CCCCCCCCCCCCCC(=O)OC(CO)CO |
2-hydroxy-1-(hydroxymethyl)ethyl icosanoate |
| 21470 | G2B | 0 | C5 H13 N3 O2 | InChI=1S/C5H13N3O2/c1-3(9 )4(6)2-8-5(7)10/h3-4,9H,2 ,6H2,1H3,(H3,7,8,10)/t3-, 4+/m0/s1; DMDDGYOTJFLDRR-IUYQGCFVSA-N |
C[CH](O)[CH](N)CNC(N)=O; CC(C(CNC(=O)N)N )O; C[C@@H]([C@@H](CNC(=O)N)N)O; C[C@H]( O)[C@H](N)CNC(N)=O |
1-[(2~{R},3~{S})-2-azanyl-3-oxidanyl-butyl]urea |
| 21471 | G2C ZINC000058639165 |
1 | C11 H16 Cl2 N5 O12 P3 | InChI=1S/C11H16Cl2N5O12P3 /c12-11(13,31(21,22)23)32 (24,25)30-33(26,27)28-2-5 -4(19)1-6(29-5)18-3-15-7- 8(18)16-10(14)17-9(7)20/h 3-6,19H,1-2H2,(H,24,25)(H ,26,27)(H2,21,22,23)(H3,1 4,16,17,20)/t4-,5+,6+/m0/ s1; FJDLJIOCZHPQHU-KVQBGUIXSA-N |
c1nc2c(n1C3CC(C(O3)COP(=O)(O)OP(=O)(C(P( =O)(O)O)(Cl)Cl)O)O)N=C(NC2=O)N; c1nc2c(n 1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P @@](=O)(C(P(=O)(O)O)(Cl)Cl)O)O)N=C(NC2=O )N; NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[C H](CO[P](O)(=O)O[P](O)(=O)C(Cl)(Cl)[P](O )(O)=O)O3; NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[ C@H](O)[C@@H](CO[P](O)(=O)O[P](O)(=O)C(C l)(Cl)[P](O)(O)=O)O3; O=P(O)(O)C(Cl)(Cl) P(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC 1=O)CC3O |
2'-deoxy-5'-O-[(S)-{[(R)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine |
| 21472 | G2D | 2 | C24 H25 N3 O2 | InChI=1S/C24H25N3O2/c1-15 -5-6-18(13-22(15)29-2)24( 28)26-20-10-9-16-7-8-17(1 2-19(16)20)21-14-27-11-3- 4-23(27)25-21/h5-8,12-14, 20H,3-4,9-11H2,1-2H3,(H,2 6,28)/t20-/m1/s1; PHINNLAJTUGZSZ-HXUWFJFHSA-N |
COc1cc(ccc1C)C(=O)N[C@@H]2CCc3ccc(cc23)c 4cn5CCCc5n4; Cc1ccc(cc1OC)C(=O)NC2CCc3c2 cc(cc3)c4cn5c(n4)CCC5; c5c(c(cc(C(NC4c3c (ccc(c2cn1c(CCC1)n2)c3)CC4)=O)c5)OC)C; C c1ccc(cc1OC)C(=O)N[C@@H]2CCc3c2cc(cc3)c4 cn5c(n4)CCC5; COc1cc(ccc1C)C(=O)N[CH]2CC c3ccc(cc23)c4cn5CCCc5n4 |
N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4-methylbenzamide |
| 21473 | G2E ZINC000068268003 |
1 | C21 H21 N O4 | InChI=1S/C21H21NO4/c1-2-3 -6-9-22-16-8-5-4-7-14(16) 21(20(22)23)12-24-17-11-1 9-18(10-15(17)21)25-13-26 -19/h4-5,7-8,10-11H,2-3,6 ,9,12-13H2,1H3/t21-/m1/s1; PHMRUZIIERITEP-OAQYLSRUSA-N |
CCCCCN1c2ccccc2C3(C1=O)COc4c3cc5c(c4)OCO 5; CCCCCN1C(=O)[C]2(COc3cc4OCOc4cc23)c5c cccc15; CCCCCN1c2ccccc2[C@]3(C1=O)COc4c3 cc5c(c4)OCO5; CCCCCN1C(=O)[C@]2(COc3cc4O COc4cc23)c5ccccc15 |
(7~{R})-1'-pentylspiro[6~{H}-furo[3,2-f][1,3]benzodioxole-7,3'-indole]-2'-one |
| 21474 | G2F CHEMBL1086863 DB04282 ZINC000003809846 |
44 | C6 H11 F O5 | InChI=1S/C6H11FO5/c7-3-5( 10)4(9)2(1-8)12-6(3)11/h2 -6,8-11H,1H2/t2-,3-,4-,5- ,6+/m1/s1; ZCXUVYAZINUVJD-UKFBFLRUSA-N |
C(C1C(C(C(C(O1)O)F)O)O)O; OC[CH]1O[CH](O )[CH](F)[CH](O)[CH]1O; C([C@@H]1[C@H]([C @@H]([C@H]([C@H](O1)O)F)O)O)O; OC[C@H]1O [C@H](O)[C@H](F)[C@@H](O)[C@@H]1O; FC1C( O)C(O)C(OC1O)CO |
2-deoxy-2-fluoro-alpha-D-glucopyranose; 2-deoxy-2-fluoro-alpha-D-glucose; 2-deoxy-2-fluoro-D-glucose; 2-deoxy-2-fluoro-glucose |
| 21475 | G2G ZINC000103542355 |
1 | C35 H39 N6 O2 | InChI=1S/C35H38N6O2/c1-24 -9-13-27(14-10-24)41-33(2 1-32(39-41)35(2,3)4)38-34 (42)37-31-16-15-28(29-7-5 -6-8-30(29)31)25-11-12-26 (36-22-25)23-40-17-19-43- 20-18-40/h5-16,21-22H,17- 20,23H2,1-4H3,(H2,37,38,3 9,42)/p+1; AJSMPUSEUKXNDW-UHFFFAOYSA-O |
Cc1ccc(cc1)[n+]2c(cc([nH]2)C(C)(C)C)NC(= O)Nc3ccc(c4c3cccc4)c5ccc(nc5)CN6CCOCC6; Cc1ccc(cc1)[n+]2[nH]c(cc2NC(=O)Nc3ccc(c4 ccc(CN5CCOCC5)nc4)c6ccccc36)C(C)(C)C; O= C(Nc2[n+](c1ccc(cc1)C)nc(c2)C(C)(C)C)Nc4 c3c(cccc3)c(cc4)c5ccc(nc5)CN6CCOCC6 |
5-TERT-BUTYL-2-(4-METHYLPHENYL)-3-{[({4-[6-(MORPHOLIN-4-YLMETHYL)PYRIDIN-3-YL]-1-NAPHTHYL}AMINO)CARBONYL]AMINO}-1H-PYRAZOL-2-IUM |
| 21476 | G2H CHEMBL1232903 DB01779 ZINC000003830897 |
6 | C3 H9 O6 P | InChI=1S/C3H9O6P/c4-1-3(2 -5)9-10(6,7)8/h3-5H,1-2H2 ,(H2,6,7,8); DHCLVCXQIBBOPH-UHFFFAOYSA-N |
C(C(CO)OP(=O)(O)O)O; OCC(CO)O[P](O)(O)=O ; O=P(O)(O)OC(CO)CO |
2-HYDROXY-1-(HYDROXYMETHYL)ETHYL DIHYDROGEN PHOSPHATE; GLYCEROL-2-PHOSPHATE |
| 21477 | G2I ZINC000064502333 |
4 | C18 H33 N O13 | InChI=1S/C18H33NO13/c20-3 -6-1-19-2-7(23)15(6)31-18 -14(28)12(26)16(9(5-22)30 -18)32-17-13(27)11(25)10( 24)8(4-21)29-17/h6-28H,1- 5H2/t6-,7-,8-,9-,10-,11+, 12-,13-,14-,15-,16-,17+,1 8+/m1/s1; ZIMIYDWQNDRGNF-IONZOCAKSA-N |
O(C1C(O)CNCC1CO)C3OC(C(OC2OC(CO)C(O)C(O) C2O)C(O)C3O)CO; OC[CH]1CNC[CH](O)[CH]1O[ CH]2O[CH](CO)[CH](O[CH]3O[CH](CO)[CH](O) [CH](O)[CH]3O)[CH](O)[CH]2O; C1C(C(C(CN1 )O)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O )O)O)O)CO; C1[C@@H]([C@H]([C@@H](CN1)O)O [C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[ C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O )O)O)O)CO; OC[C@H]1CNC[C@@H](O)[C@@H]1O[ C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO )[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2 O |
(3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside; Cellotriose-like isofagomine; Cellobiosyl isofagomine |
| 21478 | G2J CHEMBL4294825 |
1 | C25 H27 N3 O2 | InChI=1S/C25H27N3O2/c1-30 -22-8-3-7-21(14-22)25(29) 28(15-18-10-11-18)16-19-5 -2-6-20(13-19)23-17-27-12 -4-9-24(27)26-23/h2-3,5-8 ,13-14,17-18H,4,9-12,15-1 6H2,1H3; UVWAIBUOXKRXQY-UHFFFAOYSA-N |
COc1cccc(c1)C(=O)N(CC2CC2)Cc3cccc(c3)c4c n5CCCc5n4; COc1cccc(c1)C(=O)N(Cc2cccc(c2 )c3cn4c(n3)CCC4)CC5CC5; O=C(N(CC1CC1)Cc4 cccc(c3cn2CCCc2n3)c4)c5cccc(c5)OC |
N-(cyclopropylmethyl)-N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide |
| 21479 | G2K | 1 | C25 H25 Cl N4 O5 | InChI=1S/C25H25ClN4O5/c26 -17-9-4-5-11-19(17)35-15- 20(31)30-14-6-10-18(30)23 -28-21(22(32)25(34)29-23) 24(33)27-13-12-16-7-2-1-3 -8-16/h1-5,7-9,11,18,32H, 6,10,12-15H2,(H,27,33)(H, 28,29,34)/t18-/m0/s1; RIAIEKGLLQXVDJ-SFHVURJKSA-N |
c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2)C3CCC N3C(=O)COc4ccccc4Cl)O; OC1=C(N=C(NC1=O)[ CH]2CCCN2C(=O)COc3ccccc3Cl)C(=O)NCCc4ccc cc4; c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2) [C@@H]3CCCN3C(=O)COc4ccccc4Cl)O; OC1=C(N =C(NC1=O)[C@@H]2CCCN2C(=O)COc3ccccc3Cl)C (=O)NCCc4ccccc4; C2(=O)C(O)=C(C(=O)NCCc1 ccccc1)N=C(N2)C3CCCN3C(COc4ccccc4Cl)=O |
2-{(2S)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide; SRI-29843 |
| 21480 | G2L ZINC000058639166 |
0 | C13 H20 N5 O9 P | InChI=1S/C13H20N5O9P/c1-2 4-2-3-25-9-6(4-26-28(21,2 2)23)27-12(8(9)19)18-5-15 -7-10(18)16-13(14)17-11(7 )20/h5-6,8-9,12,19H,2-4H2 ,1H3,(H2,21,22,23)(H3,14, 16,17,20)/t6-,8-,9-,12-/m 1/s1; ICKYKWCJEMPHMX-WOUKDFQISA-N |
COCCO[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P] (O)(O)=O)n2cnc3C(=O)NC(=Nc23)N; COCCO[CH ]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3 C(=O)NC(=Nc23)N; O=C1c2ncn(c2N=C(N)N1)C3 OC(C(OCCOC)C3O)COP(=O)(O)O; COCCOC1C(OC( C1O)n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O; COC CO[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2N =C(NC3=O)N)COP(=O)(O)O |
3'-O-METHYOXYETHYL-GUANOSINE-5'-MONOPHOSPHATE |
| 21481 | G2M ZINC000058660837 |
1 | C13 H22 N5 O12 P3 | InChI=1S/C13H22N5O12P3/c1 -13(2,31(21,22)23)32(24,2 5)30-33(26,27)28-4-7-6(19 )3-8(29-7)18-5-15-9-10(18 )16-12(14)17-11(9)20/h5-8 ,19H,3-4H2,1-2H3,(H,24,25 )(H,26,27)(H2,21,22,23)(H 3,14,16,17,20)/t6-,7+,8+/ m0/s1; NTNZTLKYOXRXOS-XLPZGREQSA-N |
O=P(O)(O)C(C)(C)P(=O)(O)OP(=O)(O)OCC3OC( n2cnc1c2N=C(N)NC1=O)CC3O; CC(C)(P(=O)(O) O)P(=O)(O)OP(=O)(O)OCC1C(CC(O1)n2cnc3c2N =C(NC3=O)N)O; CC(C)([P](O)(O)=O)[P](O)(= O)O[P](O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n2 cnc3C(=O)NC(=Nc23)N; CC(C)([P@](=O)(O)O[ P@@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2c nc3c2N=C(NC3=O)N)O)P(=O)(O)O; CC(C)([P]( O)(O)=O)[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH ](C[CH]1O)n2cnc3C(=O)NC(=Nc23)N |
2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(1-methyl-1-phosphonoethyl)phosphoryl]oxy}phosphoryl]guanosine |
| 21482 | G2N CHEMBL1232907 ZINC000003787618 |
2 | C17 H19 N5 O2 | InChI=1S/C17H19N5O2/c1-3- 24-17(23)21-13-9-12-15(16 (18)20-13)22-14(10(2)19-1 2)11-7-5-4-6-8-11/h4-10,1 9H,3H2,1-2H3,(H3,18,20,21 ,23)/t10-/m1/s1; XXBDOTXPQDVHIP-SNVBAGLBSA-N |
CCOC(=O)Nc1cc2c(c(n1)N)N=C(C(N2)C)c3cccc c3; CCOC(=O)Nc1cc2c(c(n1)N)N=C([C@H](N2) C)c3ccccc3; CCOC(=O)Nc1cc2N[C@H](C)C(=Nc 2c(N)n1)c3ccccc3; CCOC(=O)Nc1cc2N[CH](C) C(=Nc2c(N)n1)c3ccccc3; O=C(OCC)Nc2nc(c3N =C(c1ccccc1)C(Nc3c2)C)N |
ethyl [(2R)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate |
| 21483 | G2O | 34 | C55 H70 Mg N4 O5 | InChI=1S/C55H71N4O5.Mg/c1 -13-39-35(8)42-28-44-37(1 0)41(24-25-48(60)64-27-26 -34(7)23-17-22-33(6)21-16 -20-32(5)19-15-18-31(3)4) 52(58-44)50-51(55(62)63-1 2)54(61)49-38(11)45(59-53 (49)50)30-47-40(14-2)36(9 )43(57-47)29-46(39)56-42; /h13,17,22,26,28-33,37,41 ,51H,1,14-16,18-21,23-25, 27H2,2-12H3,(H-,56,57,58, 59,61);/q-1;+2/p-1/b22-17 +,34-26-;/t32-,33-,37+,41 +,51-;/m1./s1; VQHOHZHNXFAELH-DMJPLALWSA-M |
CCC1=C(C2=[N]3C1=Cc4c(c5c6n4[Mg]37N8C(=C C9=[N]7C(=C6[C@H](C5=O)C(=O)OC)[C@H]([C@ @H]9C)CCC(=O)OC/C=C(/C)\CC=C[C@H](C)CCC[ C@H](C)CCCC(C)C)C(=C(C8=C2)C=C)C)C)C; CC C1=C(C2=[N]3C1=Cc4c(c5c6n4[Mg]37N8C(=CC9 =[N]7C(=C6C(C5=O)C(=O)OC)C(C9C)CCC(=O)OC C=C(C)CC=CC(C)CCCC(C)CCCC(C)C)C(=C(C8=C2 )C=C)C)C)C; CCC1=C(C)C2=NC1=Cc3n4[Mg][N] 5C(=CC6=NC(=C7[CH](C(=O)OC)C(=O)c(c3C)c4 7)[CH](CCC(=O)OCC=C(C)CC=C[CH](C)CCC[CH] (C)CCCC(C)C)[CH]6C)C(=C(C=C)C5=C2)C; CCC 1=C(C)C2=NC1=Cc3n4[Mg][N@]5C(=CC6=NC(=C7 [C@@H](C(=O)OC)C(=O)c(c3C)c47)[C@@H](CCC (=O)OC\C=C(\C)C\C=C\[C@H](C)CCC[C@H](C)C CCC(C)C)[C@@H]6C)C(=C(C=C)C5=C2)C |
Chlorophyll A ester |
| 21484 | G2P CHEMBL1232908 DB03532 ZINC000016051609 |
241 | C11 H18 N5 O13 P3 | InChI=1S/C11H18N5O13P3/c1 2-11-14-8-5(9(19)15-11)13 -2-16(8)10-7(18)6(17)4(28 -10)1-27-30(20,21)3-31(22 ,23)29-32(24,25)26/h2,4,6 -7,10,17-18H,1,3H2,(H,20, 21)(H,22,23)(H2,24,25,26) (H3,12,14,15,19)/t4-,6-,7 -,10-/m1/s1; GXTIEXDFEKYVGY-KQYNXXCUSA-N |
c1nc2c(n1C3C(C(C(O3)COP(=O)(CP(=O)(O)OP( =O)(O)O)O)O)O)N=C(NC2=O)N; NC1=Nc2n(cnc2 C(=O)N1)[C@@H]3O[C@H](CO[P@](O)(=O)C[P@] (O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O; c1 nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P @](=O)(C[P@@](=O)(O)OP(=O)(O)O)O)O)O)N=C (NC2=O)N; O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC 3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O; NC1=Nc2 n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)C[P ](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O |
PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER |
| 21485 | G2Q ZINC000098208918 |
6 | C15 H23 N5 O14 P2 | InChI=1S/C15H23N5O14P2/c1 6-15-18-12-8(13(25)19-15) 17-4-20(12)14-11(24)10(23 )7(33-14)3-32-36(28,29)34 -35(26,27)31-2-6-9(22)5(2 1)1-30-6/h4-7,9-11,14,21- 24H,1-3H2,(H,26,27)(H,28, 29)(H3,16,18,19,25)/t5-,6 +,7+,9-,10+,11+,14+/m0/s1; NOLLEWZDVQOFJY-ZVIMGNLFSA-N |
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO P(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](CO 4)O)O)O)O)NC(=NC2=O)N; NC1=NC(=O)c2ncn([ C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)OC[C @H]4OC[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O) c2N1; O=P(O)(OCC1OCC(O)C1O)OP(=O)(O)OCC4 OC(n2cnc3c2NC(=NC3=O)N)C(O)C4O; c1nc2c(n 1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C O4)O)O)O)O)NC(=NC2=O)N; NC1=NC(=O)c2ncn( [CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH] 4OC[CH](O)[CH]4O)[CH](O)[CH]3O)c2N1 |
GUANOSINE DIPHOSPHATE RIBOSE |
| 21486 | G2R ZINC000058638541 |
1 | C15 H23 N5 O14 P2 | InChI=1S/C15H23N5O14P2/c1 6-15-18-12-8(13(25)19-15) 17-4-20(12)14-11(24)10(23 )7(33-14)3-32-36(28,29)34 -35(26,27)31-2-6-9(22)5(2 1)1-30-6/h4-7,9-11,14,21- 24H,1-3H2,(H,26,27)(H,28, 29)(H3,16,18,19,25)/t5-,6 +,7+,9-,10-,11+,14+/m0/s1; NOLLEWZDVQOFJY-DCLLCRAESA-N |
c1nc2c(n1[C@H]3[C@@H]([C@H]([C@H](O3)CO[ P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C @H](CO4)O)O)O)O)N=C(NC2=O)N; NC1=Nc2n(cn c2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O) (=O)OC[CH]4OC[CH](O)[CH]4O)[CH](O)[CH]3O ; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[ P@@](O)(=O)O[P@](O)(=O)OC[C@H]4OC[C@H](O )[C@@H]4O)[C@H](O)[C@H]3O; c1nc2c(n1C3C( C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(CO4)O) O)O)O)N=C(NC2=O)N; O=P(O)(OCC1OCC(O)C1O) OP(=O)(O)OCC4OC(n3cnc2c3N=C(N)NC2=O)C(O) C4O |
[(2R,3R,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE; GUANOSINE DIPHOSPHORIBOSE INTERMEDIATE |
| 21487 | G2S | 0 | C10 H14 N5 O5 P S2 | InChI=1S/C10H14N5O5PS2/c1 1-10-13-8-7(9(17)14-10)12 -3-15(8)6-1-4(16)5(20-6)2 -19-21(18,22)23/h3-6,16H, 1-2H2,(H2,18,22,23)(H3,11 ,13,14,17)/t4-,5+,6+/m0/s 1; UTBRJOFAELGXIG-KVQBGUIXSA-N |
NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@ H](CO[P@@](O)(S)=S)O3; c1nc2c(n1[C@H]3C[ C@@H]([C@H](O3)CO[P@@](=S)(O)S)O)N=C(NC2 =O)N; NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O) [CH](CO[P](O)(S)=S)O3; O=C1c2ncn(c2N=C(N )N1)C3OC(C(O)C3)COP(=S)(O)S; c1nc2c(n1C3 CC(C(O3)COP(=S)(O)S)O)N=C(NC2=O)N |
GUANOSINE-5'-DITHIOPHOSPHORATE |
| 21488 | G2T CHEMBL5091943 |
2 | C26 H33 N2 O9 P S2 | InChI=1S/C26H33N2O9PS2/c1 -6-34-38(30,35-7-2)16-20- 17-39-26(27-20)28-25(29)1 9-12-22(36-18(3)15-33-4)1 4-23(13-19)37-21-8-10-24( 11-9-21)40(5,31)32/h8-14, 17-18H,6-7,15-16H2,1-5H3, (H,27,28,29)/t18-/m0/s1; OQUMCVQSAWPKMT-SFHVURJKSA-N |
CCO[P](=O)(Cc1csc(NC(=O)c2cc(O[CH](C)COC )cc(Oc3ccc(cc3)[S](C)(=O)=O)c2)n1)OCC; O =C(Nc1nc(CP(=O)(OCC)OCC)cs1)c1cc(Oc2ccc( cc2)S(C)(=O)=O)cc(OC(C)COC)c1; CCOP(=O)( Cc1csc(n1)NC(=O)c2cc(cc(c2)OC(C)COC)Oc3c cc(cc3)S(=O)(=O)C)OCC; CCOP(=O)(Cc1csc(n 1)NC(=O)c2cc(cc(c2)O[C@@H](C)COC)Oc3ccc( cc3)S(=O)(=O)C)OCC; CCO[P](=O)(Cc1csc(NC (=O)c2cc(O[C@@H](C)COC)cc(Oc3ccc(cc3)[S] (C)(=O)=O)c2)n1)OCC |
diethyl {[2-(3-[4-(methanesulfonyl)phenoxy]-5-{[(2S)-1-methoxypropan-2-yl]oxy}benzamido)-1,3-thiazol-4-yl]methyl}phosphonate |
| 21489 | G2U CHEMBL5183618 ZINC000058191615 |
1 | C15 H16 N4 O3 S | InChI=1S/C15H16N4O3S/c1-7 -13(9(3)20)8(2)17-14(7)10 -6-23-11(18-10)5-19-12(21 )4-16-15(19)22/h6,17H,4-5 H2,1-3H3,(H,16,22); XGIZTMPAAINKGM-UHFFFAOYSA-N |
CC(=O)c1c(C)[nH]c(c1C)c2csc(CN3C(=O)CNC3 =O)n2; Cc1c(c([nH]c1c2csc(n2)CN3C(=O)CNC 3=O)C)C(=O)C |
3-[[4-(4-ethanoyl-3,5-dimethyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione |
| 21490 | G2V CHEMBL4281112 |
2 | C15 H17 N3 | InChI=1S/C15H17N3/c1-17-8 -6-12-9-11(4-5-14(12)17)1 3-10-18-7-2-3-15(18)16-13 /h4-5,9-10H,2-3,6-8H2,1H3; GANOSYHSDIPGSR-UHFFFAOYSA-N |
CN1CCc2c1ccc(c2)c3cn4c(n3)CCC4; CN1CCc2c c(ccc12)c3cn4CCCc4n3; C1CN(c2c1cc(cc2)c4 cn3c(CCC3)n4)C |
6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methylindoline; 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-2,3-dihydro-1H-indole |
| 21491 | G2W CHEMBL3944666 ZINC000072316400 |
1 | C22 H22 F N5 O2 | InChI=1S/C22H22FN5O2/c1-1 4-10-16(23)6-7-19(14)30-1 8-12-28(13-18)20-8-9-25-2 2(27-20)26-17-5-3-4-15(11 -17)21(29)24-2/h3-11,18H, 12-13H2,1-2H3,(H,24,29)(H ,25,26,27); MFAKJGXMORSMIX-UHFFFAOYSA-N |
Cc1cc(ccc1OC2CN(C2)c3ccnc(n3)Nc4cccc(c4) C(=O)NC)F; CNC(=O)c1cccc(Nc2nccc(n2)N3CC (C3)Oc4ccc(F)cc4C)c1 |
3-[[4-[3-(4-fluoranyl-2-methyl-phenoxy)azetidin-1-yl]pyrimidin-2-yl]amino]-~{N}-methyl-benzamide |
| 21492 | G2X CHEMBL1182714 DB12533 ZINC000013981125 |
6 | C18 H18 Cl F5 N6 O | InChI=1S/C18H18ClF5N6O/c1 -9(18(22,23)24)28-16-14(1 5(19)29-17-26-8-27-30(16) 17)13-11(20)6-10(7-12(13) 21)31-5-3-4-25-2/h6-9,25, 28H,3-5H2,1-2H3/t9-/m0/s1; ZUZPCOQWSYNWLU-VIFPVBQESA-N |
CNCCCOc1cc(F)c(c(F)c1)c2c(Cl)nc3ncnn3c2N [CH](C)C(F)(F)F; CNCCCOc1cc(F)c(c(F)c1)c 2c(Cl)nc3ncnn3c2N[C@@H](C)C(F)(F)F; CC(C (F)(F)F)Nc1c(c(nc2n1ncn2)Cl)c3c(cc(cc3F) OCCCNC)F; C[C@@H](C(F)(F)F)Nc1c(c(nc2n1n cn2)Cl)c3c(cc(cc3F)OCCCNC)F |
6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-N-[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
| 21493 | G2Y | 0 | C12 H19 Cl3 O8 | InChI=1S/C12H19Cl3O8/c13- 1-4-7(17)10(20)12(3-14,22 -4)23-11-9(19)8(18)6(15)5 (2-16)21-11/h4-11,16-20H, 1-3H2/t4-,5+,6-,7+,8-,9+, 10-,11-,12-/m0/s1; BAQAVOSOZGMPRM-RGUBMTAVSA-N |
OC[C@H]1O[C@@H](O[C@]2(CCl)O[C@@H](CCl)[ C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1 Cl; C(C1C(C(C(C(O1)OC2(C(C(C(O2)CCl)O)O) CCl)O)O)Cl)O; OC[CH]1O[CH](O[C]2(CCl)O[C H](CCl)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1 Cl; C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H]( O1)O[C@]2([C@H]([C@@H]([C@@H](O2)CCl)O)O )CCl)O)O)Cl)O; C2(C(C(O)C(OC1(OC(C(O)C1O )CCl)CCl)OC2CO)O)Cl |
1,6-dichloro-1,6-dideoxy-alpha-L-sorbofuranosyl 4-chloro-4-deoxy-beta-D-galactopyranoside |
| 21494 | G2Z | 0 | C4 H10 N2 O2 | InChI=1S/C4H10N2O2/c1-3(5 )2-6-4(7)8/h3,6H,2,5H2,1H 3,(H,7,8)/t3-/m0/s1; RHDKRUOESWZLQS-VKHMYHEASA-N |
CC(CNC(=O)O)N; C[C@@H](CNC(=O)O)N; C[CH] (N)CNC(O)=O; C[C@H](N)CNC(O)=O |
[(2~{S})-2-azanylpropyl]carbamic acid |
| 21495 | G30 CHEMBL1213403 DB07808 ZINC000004105014 |
2 | C11 H9 F2 N O3 | InChI=1S/C11H9F2NO3/c12-5 -1-2-8(13)9(3-5)14-10(15) 6-4-7(6)11(16)17/h1-3,6-7 H,4H2,(H,14,15)(H,16,17)/ t6-,7+/m1/s1; QTWGHTBKFVANGX-RQJHMYQMSA-N |
c1cc(c(cc1F)NC(=O)C2CC2C(=O)O)F; OC(=O)[ C@H]1C[C@H]1C(=O)Nc2cc(F)ccc2F; O=C(Nc1c c(F)ccc1F)C2C(C(=O)O)C2; OC(=O)[CH]1C[CH ]1C(=O)Nc2cc(F)ccc2F; c1cc(c(cc1F)NC(=O) [C@@H]2C[C@@H]2C(=O)O)F |
(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid |
| 21496 | G31 ZINC000058638394 |
0 | C11 H16 N5 O6 P | InChI=1S/C11H16N5O6P/c1-5 -2-7(22-6(5)3-21-23(18,19 )20)16-4-13-8-9(16)14-11( 12)15-10(8)17/h4-7H,2-3H2 ,1H3,(H2,18,19,20)(H3,12, 14,15,17)/t5-,6+,7+/m0/s1; VFWJQBRJIASDIP-RRKCRQDMSA-N |
C[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2c nc3C(=O)NC(=Nc23)N; C[CH]1C[CH](O[CH]1CO [P](O)(O)=O)n2cnc3C(=O)NC(=Nc23)N; CC1CC (OC1COP(=O)(O)O)n2cnc3c2N=C(NC3=O)N; C[C @H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n2cnc3c2 N=C(NC3=O)N; O=C1c2ncn(c2N=C(N)N1)C3OC(C (C3)C)COP(=O)(O)O |
3'-METHYL-2',3'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE |
| 21497 | G32 | 0 | C11 H16 N5 O7 P | InChI=1/C11H16N5O7P/c1-21 -10-8-9(14-11(12)15-10)16 (4-13-8)7-2-5(17)6(23-7)3 -22-24(18,19)20/h4-7,17H, 2-3H2,1H3,(H2,12,14,15)(H 2,18,19,20)/t5-,6+,7+/m0/ s1/f/h18-19H,12H2; GFRAHVJOXXMIDI-XSXBNAMCDE |
COc1nc(N)nc2n(cnc12)[C@H]3C[C@H](O)[C@@H ](CO[P](O)(O)=O)O3; COc1c2c(nc(n1)N)n(cn 2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O; COc1nc(N)nc2n(cnc12)[CH]3C[CH](O)[CH](CO [P](O)(O)=O)O3; COc1c2c(nc(n1)N)n(cn2)C3 CC(C(O3)COP(=O)(O)O)O; O=P(O)(O)OCC3OC(n 2cnc1c2nc(nc1OC)N)CC3O |
O6-METHYL-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE |
| 21498 | G33 | 0 | C11 H16 N5 O7 P | InChI=1/C11H16N5O7P/c1-4- 13-8-9(14-11(12)15-10(8)1 8)16(4)7-2-5(17)6(23-7)3- 22-24(19,20)21/h5-7,17H,2 -3H2,1H3,(H2,19,20,21)(H3 ,12,14,15,18)/t5-,6+,7+/m 0/s1/f/h15,19-20H,12H2; MKPWVGWAKMPLFJ-PTCOHVBVDG |
Cc1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O) (O)O)O)N=C(NC2=O)N; Cc1nc2C(=O)NC(=Nc2n1 [C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3)N ; O=C1c2nc(n(c2N=C(N)N1)C3OC(C(O)C3)COP( =O)(O)O)C; Cc1nc2c(n1C3CC(C(O3)COP(=O)(O )O)O)N=C(NC2=O)N; Cc1nc2C(=O)NC(=Nc2n1[C H]3C[CH](O)[CH](CO[P](O)(O)=O)O3)N |
8-METHYL-2'-DEOXYGUANOSINE 3'-MONOPHOSPHATE |
| 21499 | G34 CHEMBL1658 DB01256 ZINC000100013500 |
0 | C30 H47 N O4 S | InChI=1S/C30H47NO4S/c1-7- 28(4)16-24(35-25(33)17-36 -22-14-20-8-9-21(15-22)31 (20)6)29(5)18(2)10-12-30( 19(3)27(28)34)13-11-23(32 )26(29)30/h7,18-22,24,26- 27,34H,1,8-17H2,2-6H3/t18 -,19+,20-,21+,22-,24-,26+ ,27+,28-,29+,30+/m1/s1; STZYTFJPGGDRJD-NHUWBDDWSA-N |
O=C1CCC52C1C(C)(C(C)CC2)C(OC(=O)CSC4CC3N (C)C(CC3)C4)CC(\C=C)(C)C(O)C5C; CC1CCC23 CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CS C4CC5CCC(C4)N5C)C; C[CH]1CC[C]23CCC(=O)[ CH]2[C]1(C)[CH](C[C](C)(C=C)[CH](O)[CH]3 C)OC(=O)CS[CH]4C[CH]5CC[CH](C4)N5C; C[C@ @H]1CC[C@@]23CCC(=O)[C@H]2[C@]1(C)[C@@H] (C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)C S[C@H]4C[C@@H]5CC[C@H](C4)N5C; C[C@@H]1C C[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@ ]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CSC4C[C@ H]5CC[C@@H](C4)N5C)C |
Retapamulin |
| 21500 | G35 ZINC000058638395 |
0 | C9 H16 N5 O8 P | InChI=1S/C9H16N5O8P/c10-8 (11)12-6-7(16)13-9(17)14( 6)5-1-3(15)4(22-5)2-21-23 (18,19)20/h3-6,15H,1-2H2, (H4,10,11,12)(H,13,16,17) (H2,18,19,20)/t3-,4+,5+,6 +/m0/s1; IMJMAQUBWVPHQG-SLPGGIOYSA-N |
C1C(C(OC1N2C(C(=O)NC2=O)NC(=N)N)COP(=O)( O)O)O; NC(=N)N[C@@H]1N([C@H]2C[C@H](O)[C @@H](CO[P](O)(O)=O)O2)C(=O)NC1=O; [H]/N= C(\N)/N[C@H]1C(=O)NC(=O)N1[C@H]2C[C@@H]( [C@H](O2)COP(=O)(O)O)O; NC(=N)N[CH]1N([C H]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC 1=O |
(5R)-5-carbamimidamido-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)imidazolidine-2,4-dione |
| 21501 | G36 ZINC000038261257 |
0 | C12 H18 N5 O7 P | InChI=1S/C12H18N5O7P/c1-2 -22-11-9-10(15-12(13)16-1 1)17(5-14-9)8-3-6(18)7(24 -8)4-23-25(19,20)21/h5-8, 18H,2-4H2,1H3,(H2,13,15,1 6)(H2,19,20,21)/t6-,7+,8+ /m0/s1; WXGDGPAAUVLZNL-XLPZGREQSA-N |
O=P(O)(O)OCC3OC(n2cnc1c2nc(nc1OCC)N)CC3O ; CCOc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([ C@H](O3)COP(=O)(O)O)O; CCOc1nc(N)nc2n(cn c12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3; CCOc1nc(N)nc2n(cnc12)[C@H]3C[C@H](O)[C@@ H](CO[P](O)(O)=O)O3; CCOc1c2c(nc(n1)N)n( cn2)C3CC(C(O3)COP(=O)(O)O)O |
O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE |
| 21502 | G37 CHEMBL443355 ZINC000095614940 |
4 | C42 H47 N7 O5 S | InChI=1S/C42H47N7O5S/c1-4 2(2)38(49-41(55-42)37(39( 53)44-25-29-18-10-5-11-19 -29)48-36(52)23-28-16-8-4 -9-17-28)40(54)47-32(22-2 7-14-6-3-7-15-27)33(50)24 -35(51)43-26-34-45-30-20- 12-13-21-31(30)46-34/h3-2 1,32-33,37-38,41,49-50H,2 2-26H2,1-2H3,(H,43,51)(H, 44,53)(H,45,46)(H,47,54)( H,48,52)/t32-,33-,37-,38+ ,41-/m1/s1; ZABIWLDXHYJWLT-QGNCIQMXSA-N |
CC1(C(NC(S1)C(C(=O)NCc2ccccc2)NC(=O)Cc3c cccc3)C(=O)NC(Cc4ccccc4)C(CC(=O)NCc5[nH] c6ccccc6n5)O)C; CC1(C)S[C@@H](N[C@H]1C(= O)N[C@H](Cc2ccccc2)[C@H](O)CC(=O)NCc3[nH ]c4ccccc4n3)[C@H](NC(=O)Cc5ccccc5)C(=O)N Cc6ccccc6; CC1([C@@H](N[C@H](S1)[C@@H](C (=O)NCc2ccccc2)NC(=O)Cc3ccccc3)C(=O)N[C@ H](Cc4ccccc4)[C@@H](CC(=O)NCc5[nH]c6cccc c6n5)O)C; CC1(C)S[CH](N[CH]1C(=O)N[CH](C c2ccccc2)[CH](O)CC(=O)NCc3[nH]c4ccccc4n3 )[CH](NC(=O)Cc5ccccc5)C(=O)NCc6ccccc6; O =C(NC(C(=O)NCc1ccccc1)C2SC(C(N2)C(=O)NC( Cc3ccccc3)C(O)CC(=O)NCc4nc5ccccc5n4)(C)C )Cc6ccccc6 |
2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-METHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID 3-[(1H-BENZIMIDAZOL-2-YLMETHYLCARBAMOYL)-1-BENZYL-2-HYDROXYPROPYL]-AMIDE; GR137615 |
| 21503 | G38 ZINC000058638447 |
0 | C10 H15 N6 O6 P | InChI=1S/C10H15N6O6P/c11- 4-1-6(22-5(4)2-21-23(18,1 9)20)16-3-13-7-8(16)14-10 (12)15-9(7)17/h3-6H,1-2,1 1H2,(H2,18,19,20)(H3,12,1 4,15,17)/t4-,5+,6+/m0/s1; NXFVSUMASOHYEH-KVQBGUIXSA-N |
N[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C( =O)NC(=Nc23)N; N[C@H]1C[C@@H](O[C@@H]1CO [P](O)(O)=O)n2cnc3C(=O)NC(=Nc23)N; c1nc2 c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)N )N=C(NC2=O)N; c1nc2c(n1C3CC(C(O3)COP(=O) (O)O)N)N=C(NC2=O)N; O=C1c2ncn(c2N=C(N)N1 )C3OC(C(N)C3)COP(=O)(O)O |
3'-AMINO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE |
| 21504 | G39 CHEMBL674 DB02600 ZINC000003929509 |
105 | C14 H24 N2 O4 | InChI=1S/C14H24N2O4/c1-4- 10(5-2)20-12-7-9(14(18)19 )6-11(15)13(12)16-8(3)17/ h7,10-13H,4-6,15H2,1-3H3, (H,16,17)(H,18,19)/t11-,1 2+,13+/m0/s1; NENPYTRHICXVCS-YNEHKIRRSA-N |
CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)O; CCC (CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N) C(=O)O; CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H ]1NC(C)=O)C(O)=O; CCC(CC)O[CH]1C=C(C[CH] (N)[CH]1NC(C)=O)C(O)=O; O=C(O)C1=CC(OC(C C)CC)C(NC(=O)C)C(N)C1 |
(3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid; Oseltamivir carboxylate |
| 21505 | G3A CHEMBL1232915 ZINC000085603218 |
8 | C20 H27 N10 O17 P3 | InChI=1S/C20H27N10O17P3/c 21-14-8-15(24-3-23-14)29( 4-25-8)18-12(33)10(31)6(4 4-18)1-42-48(36,37)46-50( 40,41)47-49(38,39)43-2-7- 11(32)13(34)19(45-7)30-5- 26-9-16(30)27-20(22)28-17 (9)35/h3-7,10-13,18-19,31 -34H,1-2H2,(H,36,37)(H,38 ,39)(H,40,41)(H2,21,23,24 )(H3,22,27,28,35)/t6-,7-, 10-,11-,12-,13-,18-,19-/m 1/s1; PMJUJCUPNRCBNP-INFSMZHSSA-N |
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O P(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5N= C(NC6=O)N)O)O)O)O)N; NC1=Nc2n(cnc2C(=O)N 1)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@](O)(=O )O[P@@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@ @H]4O)n5cnc6c(N)ncnc56)[C@@H](O)[C@H]3O; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([ C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)O[P@]( =O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5c nc6c5N=C(NC6=O)N)O)O)O)O)N; NC1=Nc2n(cnc 2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)( =O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O )n5cnc6c(N)ncnc56)[CH](O)[CH]3O |
GUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE |
| 21506 | G3B CHEMBL1232916 ZINC000083434058 |
1 | C18 H14 N2 O3 S | InChI=1S/C18H14N2O3S/c1-1 1-19-20-18(23-11)13-5-8-1 7-15(9-13)16(10-22-17)12- 3-6-14(7-4-12)24(2)21/h3- 10H,1-2H3/t24-/m0/s1; RCKYSTKYIVULEK-DEOSSOPVSA-N |
Cc1nnc(o1)c2ccc3c(c2)c(co3)c4ccc(cc4)[S@ @](=O)C; Cc1oc(nn1)c2ccc3occ(c4ccc(cc4)[ S](C)=O)c3c2; Cc1nnc(o1)c2ccc3c(c2)c(co3 )c4ccc(cc4)S(=O)C; Cc1oc(nn1)c2ccc3occ(c 4ccc(cc4)[S@](C)=O)c3c2; O=S(c4ccc(c1c2c c(ccc2oc1)c3nnc(o3)C)cc4)C |
2-methyl-5-(3-{4-[(S)-methylsulfinyl]phenyl}-1-benzofuran-5-yl)-1,3,4-oxadiazole |
| 21507 | G3C CHEMBL1160786 ZINC000022116612 |
4 | C16 H16 Cl N O3 | InChI=1S/C16H16ClNO3/c17- 15-11-5-6-18-8-13(9-1-3-1 0(19)4-2-9)12(11)7-14(20) 16(15)21/h1-4,7,13,18-21H ,5-6,8H2/t13-/m1/s1; TVURRHSHRRELCG-CYBMUJFWSA-N |
c1cc(ccc1C2CNCCc3c2cc(c(c3Cl)O)O)O; Oc1c cc(cc1)[C@H]2CNCCc3c(Cl)c(O)c(O)cc23; c1 cc(ccc1[C@H]2CNCCc3c2cc(c(c3Cl)O)O)O; Oc 1ccc(cc1)[CH]2CNCCc3c(Cl)c(O)c(O)cc23 |
(1R)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol |
| 21508 | G3D DB04121 ZINC000016051736 |
14 | C10 H16 N5 O14 P3 | InChI=1S/C10H16N5O14P3/c1 1-10-13-7-4(8(17)14-10)12 -2-15(7)9-5(16)6(28-30(18 ,19)20)3(27-9)1-26-32(24, 25)29-31(21,22)23/h2-3,5- 6,9,16H,1H2,(H,24,25)(H2, 18,19,20)(H2,21,22,23)(H3 ,11,13,14,17)/t3-,5-,6-,9 -/m1/s1; HEYSFDAMRDTCJM-UUOKFMHZSA-N |
NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@ @](O)(=O)O[P](O)(O)=O)[C@@H](O[P](O)(O)= O)[C@H]3O; c1nc2c(n1[C@H]3[C@@H]([C@@H]( [C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)OP(=O)( O)O)O)N=C(NC2=O)N; O=P(O)(O)OP(=O)(O)OCC 3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3OP(=O)(O)O ; c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O )O)OP(=O)(O)O)O)N=C(NC2=O)N; NC1=Nc2n(cn c2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O) (O)=O)[CH](O[P](O)(O)=O)[CH]3O |
GUANOSINE-3'-MONOPHOSPHATE-5'-DIPHOSPHATE |
| 21509 | G3E CHEMBL146227 ZINC000009592675 |
4 | C9 H7 N O2 | InChI=1S/C9H7NO2/c11-8-5- 6-3-1-2-4-7(6)10-9(8)12/h 1-5,11H,(H,10,12); BERPCVULMUPOER-UHFFFAOYSA-N |
c1ccc2c(c1)C=C(C(=O)N2)O; OC1=Cc2ccccc2N C1=O; O=C2C(O)=Cc1c(cccc1)N2 |
3-hydroxyquinolin-2(1H)-one |
| 21510 | G3F ZINC000003956760 |
20 | C6 H11 F O5 | InChI=1S/C6H11FO5/c7-3-4( 9)2(1-8)12-6(11)5(3)10/h2 -6,8-11H,1H2/t2-,3+,4-,5- ,6-/m1/s1; BUMRBAMACDBPKO-AIECOIEWSA-N |
FC1C(O)C(OC(O)C1O)CO; C([C@@H]1[C@H]([C@ @H]([C@H]([C@@H](O1)O)O)F)O)O; OC[C@H]1O [C@@H](O)[C@H](O)[C@@H](F)[C@@H]1O; OC[C H]1O[CH](O)[CH](O)[CH](F)[CH]1O; C(C1C(C (C(C(O1)O)O)F)O)O |
3-deoxy-3-fluoro-beta-D-glucopyranose; 3-deoxy-3-fluoro-beta-D-glucose; 3-deoxy-3-fluoro-D-glucose; 3-deoxy-3-fluoro-glucose |
| 21511 | G3G CHEMBL1196641 ZINC000016052403 |
8 | C30 H33 N5 O4 S2 | InChI=1S/C30H33N5O4S2/c31 -25-11-15-27(16-12-25)40( 36,37)34(21-23-7-3-1-4-8- 23)29-19-33-20-30(29)35(2 2-24-9-5-2-6-10-24)41(38, 39)28-17-13-26(32)14-18-2 8/h1-18,29-30,33H,19-22,3 1-32H2/t29-,30-/m0/s1; XDDOZTWMJWWMBF-KYJUHHDHSA-N |
c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3 )S(=O)(=O)c4ccc(cc4)N)S(=O)(=O)c5ccc(cc5 )N; Nc1ccc(cc1)[S](=O)(=O)N(Cc2ccccc2)[C @H]3CNC[C@@H]3N(Cc4ccccc4)[S](=O)(=O)c5c cc(N)cc5; c1ccc(cc1)CN(C2CNCC2N(Cc3ccccc 3)S(=O)(=O)c4ccc(cc4)N)S(=O)(=O)c5ccc(cc 5)N; O=S(=O)(N(C3C(N(Cc1ccccc1)S(=O)(=O) c2ccc(N)cc2)CNC3)Cc4ccccc4)c5ccc(N)cc5; Nc1ccc(cc1)[S](=O)(=O)N(Cc2ccccc2)[CH]3C NC[CH]3N(Cc4ccccc4)[S](=O)(=O)c5ccc(N)cc 5 |
N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE) |
| 21512 | G3H CHEMBL1232918 DB02263 ZINC000003869936 |
96 | C3 H7 O6 P | InChI=1S/C3H7O6P/c4-1-3(5 )2-9-10(6,7)8/h1,3,5H,2H2 ,(H2,6,7,8)/t3-/m0/s1; LXJXRIRHZLFYRP-VKHMYHEASA-N |
C([C@H](C=O)O)OP(=O)(O)O; C(C(C=O)O)OP(= O)(O)O; O[CH](CO[P](O)(O)=O)C=O; O=P(OCC (O)C=O)(O)O; O[C@H](CO[P](O)(O)=O)C=O |
GLYCERALDEHYDE-3-PHOSPHATE |
| 21513 | G3I ZINC000098208919 |
2 | C24 H43 N O18 | InChI=1S/C24H43NO18/c26-3 -7-1-25-2-8(30)19(7)41-23 -17(36)14(33)21(10(5-28)3 9-23)43-24-18(37)15(34)20 (11(6-29)40-24)42-22-16(3 5)13(32)12(31)9(4-27)38-2 2/h7-37H,1-6H2/t7-,8-,9-, 10-,11-,12-,13+,14-,15-,1 6-,17-,18-,19-,20-,21-,22 +,23+,24+/m1/s1; WWLNURYAWFMUKB-QPKZCLDCSA-N |
OC[CH]1CNC[CH](O)[CH]1O[CH]2O[CH](CO)[CH ](O[CH]3O[CH](CO)[CH](O[CH]4O[CH](CO)[CH ](O)[CH](O)[CH]4O)[CH](O)[CH]3O)[CH](O)[ CH]2O; OC[C@H]1CNC[C@@H](O)[C@@H]1O[C@@H ]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@ @H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[ C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O; C1C(C(C(CN1)O)OC2C(C(C(C(O2)CO)OC3C(C(C( C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O)C O; C1[C@@H]([C@H]([C@@H](CN1)O)O[C@H]2[C @@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@ @H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@ H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O) O)CO; O(C2C(OC(OC1C(CO)CNCC1O)C(O)C2O)CO )C4OC(C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O)CO |
(3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside; Cellotetraose-like isofagomine; Cellotriosyl isofagomine |
| 21514 | G3J | 3 | C21 H21 Cl N4 O | InChI=1S/C21H21ClN4O/c1-1 3-11-20(24-19-6-4-3-5-17( 19)22)16-12-15(18-9-10-23 -25-18)7-8-21(16)26(13)14 (2)27/h3-10,12-13,20,24H, 11H2,1-2H3,(H,23,25)/t13- ,20+/m0/s1; XRGFSBWBLFRFEN-RNODOKPDSA-N |
C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3cc[nH] n3)Nc4ccccc4Cl; C[CH]1C[CH](Nc2ccccc2Cl) c3cc(ccc3N1C(C)=O)c4cc[nH]n4; C[C@H]1C[C @@H](Nc2ccccc2Cl)c3cc(ccc3N1C(C)=O)c4cc[ nH]n4; CC1CC(c2cc(ccc2N1C(=O)C)c3cc[nH]n 3)Nc4ccccc4Cl; n1nccc1c3cc4C(Nc2c(cccc2) Cl)CC(C)N(C(C)=O)c4cc3 |
1-[(2S,4R)-4-[(2-chlorophenyl)amino]-2-methyl-6-(1H-pyrazol-3-yl)-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one |
| 21515 | G3K | 1 | C19 H20 Cl N3 O6 | InChI=1S/C19H20ClN3O6/c1- 19(2,29-11-7-5-10(20)6-8- 11)18(28)23-9-3-4-12(23)1 5-21-13(17(26)27)14(24)16 (25)22-15/h5-8,12,24H,3-4 ,9H2,1-2H3,(H,26,27)(H,21 ,22,25)/t12-/m1/s1; YQESBGYXTBAVMX-GFCCVEGCSA-N |
CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC[C@@H]2C3= NC(=C(O)C(=O)N3)C(O)=O; CC(C)(C(=O)N1CCC [C@@H]1C2=NC(=C(C(=O)N2)O)C(=O)O)Oc3ccc( cc3)Cl; CC(C)(C(=O)N1CCCC1C2=NC(=C(C(=O) N2)O)C(=O)O)Oc3ccc(cc3)Cl; CC(C)(Oc1ccc( Cl)cc1)C(=O)N2CCC[CH]2C3=NC(=C(O)C(=O)N3 )C(O)=O; C1(NC(=NC(=C1O)C(O)=O)C3CCCN3C( =O)C(C)(C)Oc2ccc(Cl)cc2)=O |
2-{(2R)-1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid; SRI-29782 |
| 21516 | G3L CHEMBL4740267 ZINC000004097787 |
2 | C28 H34 O9 | InChI=1S/C28H34O9/c1-14(2 9)34-19-12-20(31)36-24(2, 3)17-11-18(30)27(6)16(26( 17,19)5)7-9-25(4)21(15-8- 10-33-13-15)35-23(32)22-2 8(25,27)37-22/h8,10,13,16 -17,19,21-22H,7,9,11-12H2 ,1-6H3/t16-,17+,19+,21+,2 2-,25+,26-,27+,28-/m1/s1; KPDOJFFZKAUIOE-WNGDLQANSA-N |
CC(=O)OC1CC(=O)OC(C2C1(C3CCC4(C(OC(=O)C5 C4(C3(C(=O)C2)C)O5)c6ccoc6)C)C)(C)C; CC( =O)O[C@H]1CC(=O)OC([C@H]2[C@]1([C@H]3CC[ C@]4([C@@H](OC(=O)[C@@H]5[C@@]4([C@@]3(C (=O)C2)C)O5)c6ccoc6)C)C)(C)C; CC(=O)O[CH ]1CC(=O)OC(C)(C)[CH]2CC(=O)[C]3(C)[CH](C C[C]4(C)[CH](OC(=O)[CH]5O[C]345)c6cocc6) [C]12C; CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H ]2CC(=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@@H]( OC(=O)[C@H]5O[C@@]345)c6cocc6)[C@@]12C |
Nomilin; [(1R,2R,4S,7S,8S,11R,12R,13S,18R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-13-yl] acetate |
| 21517 | G3M | 1 | C7 H16 N4 O3 | InChI=1S/C7H16N4O3/c8-5(6 (13)14)4(12)2-1-3-11-7(9) 10/h4-5,12H,1-3,8H2,(H,13 ,14)(H4,9,10,11)/t4-,5-/m 0/s1; ZMNNJGSTNCXCMN-WHFBIAKZSA-N |
O=C(O)C(C(O)CCCNC(=N)\N)N; N[CH]([CH](O) CCCNC(N)=N)C(O)=O; N[C@@H]([C@@H](O)CCCN C(N)=N)C(O)=O; C(CC(C(C(=O)O)N)O)CNC(=N) N; [H]/N=C(/N)\NCCC[C@@H]([C@@H](C(=O)O) N)O |
(3S)-N~6~-carbamimidoyl-3-hydroxy-L-lysine |
| 21518 | G3N ZINC000030730249 |
4 | C14 H23 N3 O15 P2 | InChI=1S/C14H23N3O15P2/c1 5-5-3-28-13(11(22)8(5)19) 31-34(26,27)32-33(24,25)2 9-4-6-9(20)10(21)12(30-6) 17-2-1-7(18)16-14(17)23/h 1-2,5-6,8-13,19-22H,3-4,1 5H2,(H,24,25)(H,26,27)(H, 16,18,23)/t5-,6+,8-,9+,10 +,11+,12+,13+/m0/s1; GWBAKYBSWHQNMQ-IAZOVDBXSA-N |
OP(OP(OCC1C(O)C(C(O1)N2C(NC(C=C2)=O)=O)O )(O)=O)(=O)OC3C(C(C(CO3)N)O)O; C1C(C(C(C (O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=C C(=O)NC3=O)O)O)O)O)N; N[C@H]1CO[C@H](O[P ](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H]( O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@H](O)[C@H] 1O; C1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O )(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H] (O2)N3C=CC(=O)NC3=O)O)O)O)O)N; N[CH]1CO[ CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([ CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH] 1O |
(2R,3R,4S,5S)-5-amino-3,4-dihydroxytetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate |
| 21519 | G3O | 1 | C20 H27 N O3 | InChI=1S/C20H27NO3/c21-10 -17-14-1-2-16(22)19(23)15 (14)6-18(24-17)20-7-11-3- 12(8-20)5-13(4-11)9-20/h1 -2,11-13,17-18,22-23H,3-1 0,21H2/t11-,12+,13-,17-,1 8-,20-/m0/s1; QLJOSZATCBCBDR-XTKNRUCHSA-N |
NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)C34CC5 CC(CC(C5)C3)C4; c1cc(c(c2c1[C@@H](O[C@@H ](C2)C34CC5CC(C3)CC(C5)C4)CN)O)O; NC[CH] 1O[CH](Cc2c(O)c(O)ccc12)C34CC5CC(CC(C5)C 3)C4; c1cc(c(c2c1C(OC(C2)C34CC5CC(C3)CC( C5)C4)CN)O)O |
(1R,3S)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol |
| 21520 | G3P CHEMBL1232920 DB02515 ZINC000003830896 |
86 | C3 H9 O6 P | InChI=1S/C3H9O6P/c4-1-3(5 )2-9-10(6,7)8/h3-5H,1-2H2 ,(H2,6,7,8)/t3-/m1/s1; AWUCVROLDVIAJX-GSVOUGTGSA-N |
C(C(COP(=O)(O)O)O)O; OC[C@@H](O)CO[P](O) (O)=O; O=P(OCC(O)CO)(O)O; C([C@H](COP(=O )(O)O)O)O; OC[CH](O)CO[P](O)(O)=O |
SN-GLYCEROL-3-PHOSPHATE |
| 21521 | G3Q ZINC000001846283 |
1 | C20 H33 N3 O3 | InChI=1S/C20H33N3O3/c1-20 (2,3)21-13-17(24)14-26-18 -11-9-16(10-12-18)23-19(2 5)22-15-7-5-4-6-8-15/h9-1 2,15,17,21,24H,4-8,13-14H 2,1-3H3,(H2,22,23,25)/t17 -/m1/s1; MXFWWQICDIZSOA-QGZVFWFLSA-N |
CC(C)(C)NC[C@@H](O)COc1ccc(NC(=O)NC2CCCC C2)cc1; CC(C)(C)NC[C@H](COc1ccc(cc1)NC(= O)NC2CCCCC2)O; CC(C)(C)NC[CH](O)COc1ccc( NC(=O)NC2CCCCC2)cc1; CC(C)(C)NCC(COc1ccc (cc1)NC(=O)NC2CCCCC2)O |
R-Talinolol; Talinolol |
| 21522 | G3R CHEMBL3309998 ZINC000068250011 |
1 | C19 H18 N6 O3 | InChI=1S/C19H18N6O3/c20-1 9-23-18-13-3-2-12(21-5-6- 26)9-14(13)22-17(25(18)24 -19)8-11-1-4-15-16(7-11)2 8-10-27-15/h1-4,7,9,21,26 H,5-6,8,10H2,(H2,20,24); QPVNTDBWWRFMIC-UHFFFAOYSA-N |
c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)NCCO) OCO2; Nc1nn2c(Cc3ccc4OCOc4c3)nc5cc(NCCO) ccc5c2n1; O1c2ccc(cc2OC1)Cc5nc3cc(NCCO)c cc3c4nc(nn45)N |
2-{[2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-8-yl]amino}ethanol |
| 21523 | G3S | 2 | C22 H23 N O4 S | InChI=1S/C22H23NO4S/c1-2- 3-4-12-23-19-10-9-17(14-1 8(19)20(24)21(23)25)28-13 -11-15-5-7-16(8-6-15)22(2 6)27/h5-10,14H,2-4,11-13H 2,1H3,(H,26,27); GQIBDPIOEBGNHW-UHFFFAOYSA-N |
CCCCCN1C(=O)C(=O)c2cc(SCCc3ccc(cc3)C(O)= O)ccc12; C(c1ccc(C(O)=O)cc1)CSc3ccc2c(C( C(=O)N2CCCCC)=O)c3; CCCCCN1c2ccc(cc2C(=O )C1=O)SCCc3ccc(cc3)C(=O)O |
4-{2-[(2,3-dioxo-1-pentyl-2,3-dihydro-1H-indol-5-yl)sulfanyl]ethyl}benzoic acid |
| 21524 | G3T | 1 | C22 H35 N3 O3 | InChI=1S/C22H35N3O3/c1-22 (2,3)25-13-14-27-20(15-25 )16-28-19-11-9-18(10-12-1 9)24-21(26)23-17-7-5-4-6- 8-17/h9-12,17,20H,4-8,13- 16H2,1-3H3,(H2,23,24,26)/ t20-/m0/s1; PSVUAGRHPQWOOO-FQEVSTJZSA-N |
CC(C)(C)N1CCO[C@@H](C1)COc2ccc(cc2)NC(=O )NC3CCCCC3; CC(C)(C)N1CCO[CH](COc2ccc(NC (=O)NC3CCCCC3)cc2)C1; CC(C)(C)N1CCO[C@H] (COc2ccc(NC(=O)NC3CCCCC3)cc2)C1; CC(C)(C )N1CCOC(C1)COc2ccc(cc2)NC(=O)NC3CCCCC3 |
1-[4-[[(2~{S})-4-~{tert}-butylmorpholin-2-yl]methoxy]phenyl]-3-cyclohexyl-urea |
| 21525 | G3U CHEMBL3697578 ZINC000220976247 |
1 | C19 H17 F2 N3 O4 | InChI=1S/C19H17F2N3O4/c1- 10-9-12(27-17-14(28-18(20 )21)5-4-8-22-17)6-7-13(10 )15-11(2)16(25)23-19(26)2 4(15)3/h4-9,18H,1-3H3,(H, 23,25,26); ZXIPVZWZRQCIRW-UHFFFAOYSA-N |
CN1C(=O)NC(=O)C(=C1c2ccc(Oc3ncccc3OC(F)F )cc2C)C; Cc1cc(ccc1C2=C(C(=O)NC(=O)N2C)C )Oc3c(cccn3)OC(F)F |
6-[4-[3-[bis(fluoranyl)methoxy]pyridin-2-yl]oxy-2-methyl-phenyl]-1,5-dimethyl-pyrimidine-2,4-dione |
| 21526 | G3V | 4 | C20 H22 N8 O6 | InChI=1S/C20H22N8O6/c21-1 6-15-17(27-20(22)26-16)23 -7-11(24-15)8-28(9-29)12- 3-1-10(2-4-12)18(32)25-13 (19(33)34)5-6-14(30)31/h1 -4,7,13,29H,5-6,8-9H2,(H, 25,32)(H,30,31)(H,33,34)( H4,21,22,23,26,27)/t13-/m 0/s1; KWWKVKGHDTULAH-ZDUSSCGKSA-N |
c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N(Cc2cn c3c(n2)c(nc(n3)N)N)CO; c1cc(ccc1C(=O)N[C @@H](CCC(=O)O)C(=O)O)N(Cc2cnc3c(n2)c(nc( n3)N)N)CO; Nc1nc(N)c2nc(CN(CO)c3ccc(cc3) C(=O)N[CH](CCC(O)=O)C(O)=O)cnc2n1; Nc1nc (N)c2nc(CN(CO)c3ccc(cc3)C(=O)N[C@@H](CCC (O)=O)C(O)=O)cnc2n1; c1(N)nc(c2c(n1)ncc( n2)CN(CO)c3ccc(cc3)C(NC(CCC(O)=O)C(O)=O) =O)N |
N-(4-{[(2,4-diaminopteridin-6-yl)methyl](hydroxymethyl)amino}benzene-1-carbonyl)-L-glutamic acid |
| 21527 | G3W CHEMBL4463223 |
1 | C21 H20 F N O | InChI=1S/C21H20FNO/c22-19 -10-6-17(7-11-19)14-15-23 -16-18-8-12-21(13-9-18)24 -20-4-2-1-3-5-20/h1-13,23 H,14-16H2; BPPBYUPUAFZCNN-UHFFFAOYSA-N |
Fc1ccc(CCNCc2ccc(Oc3ccccc3)cc2)cc1; c1cc c(cc1)Oc2ccc(cc2)CNCCc3ccc(cc3)F |
2-(4-fluorophenyl)-~{N}-[(4-phenoxyphenyl)methyl]ethanamine |
| 21528 | G3X CHEMBL569978 ZINC000003814004 |
1 | C24 H34 N2 O3 | InChI=1S/C24H34N2O3/c1-28 -20-7-6-18-17-26(14-5-13- 25-11-3-2-4-12-25)15-10-2 4-9-8-19(27)16-21(24)29-2 3(20)22(18)24/h6-9,19,21, 27H,2-5,10-17H2,1H3/t19-, 21-,24-/m0/s1; JIMPGPISVDHAIE-PTLVVNQVSA-N |
COc1ccc2CN(CCCN3CCCCC3)CC[C@@]45C=C[C@H] (O)C[C@@H]4Oc1c25; COc1ccc2c3c1OC4C3(CCN (C2)CCCN5CCCCC5)C=CC(C4)O; COc1ccc2c3c1O [C@@H]4[C@@]3(CC[N@](C2)CCCN5CCCCC5)C=C[ C@@H](C4)O; COc1ccc2CN(CCCN3CCCCC3)CC[C] 45C=C[CH](O)C[CH]4Oc1c25; OC2C=CC41c3c(c cc(OC)c3OC1C2)CN(CC4)CCCN5CCCCC5 |
(4aS,6R,8aS)-3-methoxy-11-(3-piperidin-1-ylpropyl)-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol; (4aS,6R,8aS)-4a,5,9,10,11,12-Hexahydro-3-methoxy-11-[3-(1-piperidinyl)propyl]-6H-benzofuro[3a,3,2-ef][2]benzazepin-6-ol |
| 21529 | G3Y | 1 | C12 H15 N O3 S | InChI=1S/C12H15NO3S/c13-9 -8-6-15-12(16-8)11(10(9)1 4)17-7-4-2-1-3-5-7/h1-5,8 -12,14H,6,13H2/t8-,9+,10- ,11+,12-/m0/s1; OFCUYBHPAYPQJR-MJDLHHQISA-N |
c1ccc(cc1)SC2C(C(C3COC2O3)N)O; c1ccc(cc1 )S[C@@H]2[C@H]([C@@H]([C@@H]3CO[C@H]2O3) N)O; N[CH]1[CH]2CO[CH](O2)[CH](Sc3ccccc3 )[CH]1O; N[C@@H]1[C@@H]2CO[C@@H](O2)[C@H ](Sc3ccccc3)[C@H]1O |
(1~{R},2~{S},3~{S},4~{R},5~{S})-2-azanyl-4-phenylsulfanyl-6,8-dioxabicyclo[3.2.1]octan-3-ol |
| 21530 | G3Z CHEMBL4074808 |
1 | C22 H20 N6 O | InChI=1S/C22H20N6O/c1-2-2 5-22(29)28-21-12-18-17(15 -7-10-23-11-8-15)5-6-20(1 9(18)14-26-21)27-16-4-3-9 -24-13-16/h3-14,27H,2H2,1 H3,(H2,25,26,28,29); PUJSFHKEPIXRAF-UHFFFAOYSA-N |
CCNC(=O)Nc1cc2c(ccc(c2cn1)Nc3cccnc3)c4cc ncc4; CCNC(=O)Nc1cc2c(ccc(Nc3cccnc3)c2cn 1)c4ccncc4 |
1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)isoquinolin-3-yl]urea |
| 21531 | G40 CHEMBL3221576 ZINC000098208920 |
2 | C38 H53 N5 O6 S | InChI=1S/C38H53N5O6S/c1-3 6(2,3)30(32(44)39-7)40-34 (46)38(48,23-26-13-10-9-1 1-14-26)20-12-21-43(42-33 (45)31(37(4,5)6)41-35(47) 49-8)24-27-15-17-28(18-16 -27)29-19-22-50-25-29/h9- 11,13-19,22,25,30-31,48H, 12,20-21,23-24H2,1-8H3,(H ,39,44)(H,40,46)(H,41,47) (H,42,45)/t30-,31-,38-/m1 /s1; XNAIGGHDLWCRFU-SQQFMCCZSA-N |
CC(C)(C)C(C(=O)NC)NC(=O)C(CCCN(Cc1ccc(cc 1)c2ccsc2)NC(=O)C(C(C)(C)C)NC(=O)OC)(Cc3 ccccc3)O; CC(C)(C)[C@@H](C(=O)NC)NC(=O)[ C@@](CCC[N@](Cc1ccc(cc1)c2ccsc2)NC(=O)[C @H](C(C)(C)C)NC(=O)OC)(Cc3ccccc3)O; CNC( =O)[CH](NC(=O)[C](O)(CCCN(Cc1ccc(cc1)c2c scc2)NC(=O)[CH](NC(=O)OC)C(C)(C)C)Cc3ccc cc3)C(C)(C)C; CNC(=O)[C@@H](NC(=O)[C@@]( O)(CCCN(Cc1ccc(cc1)c2cscc2)NC(=O)[C@@H]( NC(=O)OC)C(C)(C)C)Cc3ccccc3)C(C)(C)C |
|
| 21532 | G41 | 10 | C27 H28 N6 O | InChI=1S/C27H28N6O/c1-18( 31-26(34)25-4-2-3-13-29-2 5)19-5-8-23(9-6-19)32-27- 30-17-22-16-21(7-10-24(22 )33-27)20-11-14-28-15-12- 20/h5-12,14-18,25,29H,2-4 ,13H2,1H3,(H,31,34)(H,30, 32,33)/t18-,25-/m0/s1; OQQHJQAFUOXHSI-BVZFJXPGSA-N |
C[CH](NC(=O)[CH]1CCCCN1)c2ccc(Nc3ncc4cc( ccc4n3)c5ccncc5)cc2; C[C@H](NC(=O)[C@@H] 1CCCCN1)c2ccc(Nc3ncc4cc(ccc4n3)c5ccncc5) cc2; CC(c1ccc(cc1)Nc2ncc3cc(ccc3n2)c4ccn cc4)NC(=O)C5CCCCN5; C[C@@H](c1ccc(cc1)Nc 2ncc3cc(ccc3n2)c4ccncc4)NC(=O)[C@@H]5CCC CN5 |
(2~{S})-~{N}-[(1~{S})-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide |
| 21533 | G42 | 0 | C10 H14 N5 O8 P | InChI=1/C10H14N5O8P/c11-9 -13-7-6(8(17)14-9)12-10(1 8)15(7)5-1-3(16)4(23-5)2- 22-24(19,20)21/h3-5,16H,1 -2H2,(H,12,18)(H2,19,20,2 1)(H3,11,13,14,17)/t3-,4+ ,5+/m0/s1/f/h12,14,19-20H ,11H2; AQIVLFLYHYFRKU-YTUICKBEDV |
NC1=NC2=C(NC(=O)N2[CH]3C[CH](O)[CH](CO[P ](O)(O)=O)O3)C(=O)N1; C1[C@@H]([C@H](OC1 N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)O)O ; C1C(C(OC1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO P(=O)(O)O)O; NC1=NC2=C(NC(=O)N2[C@H]3C[C @H](O)[C@@H](CO[P](O)(O)=O)O3)C(=O)N1; O =C1C=2NC(=O)N(C=2N=C(N)N1)C3OC(C(O)C3)CO P(=O)(O)O |
8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE |
| 21534 | G43 ZINC000584905554 |
2 | C29 H39 Cl N2 O9 S | InChI=1S/C29H39ClN2O9S/c1 -18(2)15-32(42(35,36)21-8 -6-20(37-3)7-9-21)16-25(3 3)24(14-19-5-10-26(38-4)2 3(30)13-19)31-29(34)41-27 -17-40-28-22(27)11-12-39- 28/h5-10,13,18,22,24-25,2 7-28,33H,11-12,14-17H2,1- 4H3,(H,31,34)/t22-,24-,25 +,27-,28+/m0/s1; FLSRFZYWTGMNQK-RQPPUJIYSA-N |
CC(C)CN(C[C@H]([C@H](Cc1ccc(c(c1)Cl)OC)N C(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)( =O)c4ccc(cc4)OC; COc1ccc(cc1)[S](=O)(=O) N(CC(C)C)C[CH](O)[CH](Cc2ccc(OC)c(Cl)c2) NC(=O)O[CH]3CO[CH]4OCC[CH]34; COc1ccc(cc 1)[S](=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc 2ccc(OC)c(Cl)c2)NC(=O)O[C@H]3CO[C@H]4OCC [C@@H]34; CC(C)CN(CC(C(Cc1ccc(c(c1)Cl)OC )NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc 4)OC |
|
| 21535 | G44 DB07809 ZINC000013165430 |
1 | C21 H20 N4 O | InChI=1S/C21H20N4O/c1-14- 3-2-4-17(11-14)20(26)18-9 -10-24-19(12-18)25-13-15- 5-7-16(8-6-15)21(22)23/h2 -12H,13H2,1H3,(H3,22,23)( H,24,25); MBJYEMUMDMGQQC-UHFFFAOYSA-N |
[H]/N=C(\c1ccc(cc1)CNc2cc(ccn2)C(=O)c3cc cc(c3)C)/N; O=C(c2ccnc(NCc1ccc(C(=[N@H]) N)cc1)c2)c3cccc(c3)C; [H]N=C(c1ccc(cc1)C Nc2cc(ccn2)C(=O)c3cccc(c3)C)N; Cc1cccc(c 1)C(=O)c2ccnc(NCc3ccc(cc3)C(N)=N)c2 |
4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE |
| 21536 | G45 | 5 | C24 H24 N6 O3 S2 | InChI=1S/C24H24N6O3S2/c1- 13(2)24(18(12-26)22(27)33 -23-21(24)14(3)28-29-23)1 7-9-15(11-25)8-16(10-17)1 9-6-7-20(34-19)35(31,32)3 0(4)5/h6-10,13H,27H2,1-5H 3,(H,28,29)/t24-/m0/s1; KSCQEXGCEZGBHT-DEOSSOPVSA-N |
CC(C)[C]1(c2cc(cc(c2)c3sc(cc3)[S](=O)(=O )N(C)C)C#N)C(=C(N)Oc4n[nH]c(C)c14)C#N; C c1c2c(n[nH]1)OC(=C(C2(c3cc(cc(c3)c4ccc(s 4)S(=O)(=O)N(C)C)C#N)C(C)C)C#N)N; Cc1c2c (n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4ccc(s4 )S(=O)(=O)N(C)C)C#N)C(C)C)C#N)N; CC(C)[C @]1(c2cc(cc(c2)c3sc(cc3)[S](=O)(=O)N(C)C )C#N)C(=C(N)Oc4n[nH]c(C)c14)C#N |
5-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-cyano-phenyl]-~{N},~{N}-dimethyl-thiophene-2-sulfonamide |
| 21537 | G46 CHEMBL1232922 |
0 | C10 H14 N5 O7 P S | InChI=1S/C10H14N5O7PS/c11 -10-13-7-4(8(18)14-10)12- 2-15(7)9-6(17)5(16)3(22-9 )1-21-23(19,20)24/h2-3,5- 6,9,16-17H,1H2,(H2,19,20, 24)(H3,11,13,14,18)/t3-,5 -,6-,9-/m1/s1; DIDGPCDGNMIUNX-UUOKFMHZSA-N |
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO [P@@](=O)(O)S)O)O)N=C(NC2=O)N; NC1=Nc2n( cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(S)=O) [C@@H](O)[C@H]3O; c1nc2c(n1C3C(C(C(O3)CO P(=O)(O)S)O)O)N=C(NC2=O)N; NC1=Nc2n(cnc2 C(=O)N1)[CH]3O[CH](CO[P](O)(S)=O)[CH](O) [CH]3O; O=P(O)(S)OCC3OC(n2cnc1c2N=C(N)NC 1=O)C(O)C3O |
GUANOSINE-5'-MONOTHIOPHOSPHATE; 5'-O-thiophosphonoguanosine |
| 21538 | G47 ZINC000058639046 |
0 | C12 H18 N5 O7 P S | InChI=1S/C12H18N5O7PS/c18 -6-3-8(24-7(6)4-23-25(20, 21)22)17-5-14-9-10(17)15- 12(13-1-2-26)16-11(9)19/h 5-8,18,26H,1-4H2,(H2,20,2 1,22)(H2,13,15,16,19)/t6- ,7+,8+/m0/s1; BYDQPYVCNHFUFE-XLPZGREQSA-N |
c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)( O)O)O)N=C(NC2=O)NCCS; c1nc2c(n1C3CC(C(O3 )COP(=O)(O)O)O)N=C(NC2=O)NCCS; O[CH]1C[C H](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC(=Nc 23)NCCS; O[C@H]1C[C@@H](O[C@@H]1CO[P](O) (O)=O)n2cnc3C(=O)NC(=Nc23)NCCS; O=C1c2nc n(c2N=C(NCCS)N1)C3OC(C(O)C3)COP(=O)(O)O |
N2-ETHANETHIOL-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE |
| 21539 | G48 ZINC000058639048 |
0 | C13 H20 N5 O9 P | InChI=1S/C13H20N5O9P/c1-2 4-2-3-25-9-8(19)6(4-26-28 (21,22)23)27-12(9)18-5-15 -7-10(18)16-13(14)17-11(7 )20/h5-6,8-9,12,19H,2-4H2 ,1H3,(H2,21,22,23)(H3,14, 16,17,20)/t6-,8-,9-,12-/m 1/s1; XPQHQKCWTLHVLZ-WOUKDFQISA-N |
COCCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH ]1n2cnc3C(=O)NC(=Nc23)N; COCCO[C@@H]1[C@ H](O)[C@@H](CO[P](O)(O)=O)O[C@H]1n2cnc3C (=O)NC(=Nc23)N; COCCOC1C(C(OC1n2cnc3c2N= C(NC3=O)N)COP(=O)(O)O)O; COCCO[C@@H]1[C@ @H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP (=O)(O)O)O; O=P(O)(O)OCC3OC(n2cnc1c2N=C( N)NC1=O)C(OCCOC)C3O |
2'-O-METHYOXYETHYL-GUANOSINE-5'-MONOPHOSPHATE |
| 21540 | G49 ZINC000058627004 |
0 | C11 H16 N5 O7 P | InChI=1S/C11H16N5O7P/c1-1 2-11-14-9-8(10(18)15-11)1 3-4-16(9)7-2-5(17)6(23-7) 3-22-24(19,20)21/h4-7,17H ,2-3H2,1H3,(H2,19,20,21)( H2,12,14,15,18)/t5-,6+,7+ /m0/s1; PDYXRHCXSYUBDG-RRKCRQDMSA-N |
CNC1=Nc2c(ncn2C3CC(C(O3)COP(=O)(O)O)O)C( =O)N1; CNC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH]( O)[CH](CO[P](O)(O)=O)O3; CNC1=Nc2c(ncn2[ C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O )N1; CNC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H]( O)[C@@H](CO[P](O)(O)=O)O3; O=C1c2ncn(c2N =C(NC)N1)C3OC(C(O)C3)COP(=O)(O)O |
N2-METHYL-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE |
| 21541 | G4A | 0 | C19 H19 N2 O4 S2 | InChI=1S/C19H18N2O4S2/c1- 20-14-7-2-4-9-16(14)25-18 (20)13-19-21(11-6-12-27(2 2,23)24)15-8-3-5-10-17(15 )26-19/h2-5,7-10,13H,6,11 -12H2,1H3/p+1; AHPYSIGATYXERL-UHFFFAOYSA-O |
CN\1c2ccccc2O/C1=C\c3[n+](c4ccccc4s3)CCC S(=O)(=O)O; c4c3c(O\C(=C/c2sc1ccccc1[n+] 2CCCS(O)(=O)=O)N3C)ccc4; CN1\C(Oc2ccccc1 2)=C\c3sc4ccccc4[n+]3CCC[S](O)(=O)=O; CN 1c2ccccc2OC1=Cc3[n+](c4ccccc4s3)CCCS(=O) (=O)O; CN1C(Oc2ccccc12)=Cc3sc4ccccc4[n+] 3CCC[S](O)(=O)=O |
2-[(Z)-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)methyl]-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium |
| 21542 | G4B | 1 | C43 H61 N5 O9 | InChI=1S/C43H61N5O9/c1-6- 7-8-9-10-11-12-13-36(51)4 5-34(24-29-14-19-32(49)20 -15-29)40(53)48-39(28(4)5 )41(54)44-31-18-23-37(52) 47-38(27(2)3)42(55)46-35( 43(56)57-26-31)25-30-16-2 1-33(50)22-17-30/h11-12,1 4-17,19-22,27-28,31,34-35 ,38-39,49-50H,6-10,13,18, 23-26H2,1-5H3,(H,44,54)(H ,45,51)(H,46,55)(H,47,52) (H,48,53)/b12-11-/t31-,34 +,35+,38+,39+/m1/s1; VEICWPPPDFDHMQ-GMWCJVCTSA-N |
CCCCCCC=CCC(=O)N[CH](Cc1ccc(O)cc1)C(=O)N [CH](C(C)C)C(=O)N[CH]2CCC(=O)N[CH](C(C)C )C(=O)N[CH](Cc3ccc(O)cc3)C(=O)OC2; CCCCC C\C=C/CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[ C@@H](C(C)C)C(=O)N[C@@H]2CCC(=O)N[C@@H]( C(C)C)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)OC2 ; CCCCCCC=CCC(=O)NC(Cc1ccc(cc1)O)C(=O)NC (C(C)C)C(=O)NC2CCC(=O)NC(C(=O)NC(C(=O)OC 2)Cc3ccc(cc3)O)C(C)C; CCCCCC/C=C\CC(=O)N [C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](C(C)C)C (=O)N[C@@H]2CCC(=O)N[C@H](C(=O)N[C@H](C( =O)OC2)Cc3ccc(cc3)O)C(C)C |
THALASSOSPIRAMIDE C |
| 21543 | G4C CHEMBL3421729 ZINC000220050656 |
4 | C24 H29 Cl2 N O3 | InChI=1S/C24H29Cl2NO3/c1- 15-18-7-4-6-16(10-11-24(2 ,3)30)19(18)12-17(14-28)2 7(15)23(29)13-20-21(25)8- 5-9-22(20)26/h4-9,15,17,2 8,30H,10-14H2,1-3H3/t15-, 17+/m0/s1; XHCSBQBBGNQINS-DOTOQJQBSA-N |
C[C@H]1c2cccc(c2C[C@@H](N1C(=O)Cc3c(cccc 3Cl)Cl)CO)CCC(C)(C)O; C[CH]1N([CH](CO)Cc 2c(CCC(C)(C)O)cccc12)C(=O)Cc3c(Cl)cccc3C l; CC1c2cccc(c2CC(N1C(=O)Cc3c(cccc3Cl)Cl )CO)CCC(C)(C)O; C[C@@H]1N([C@@H](CO)Cc2c (CCC(C)(C)O)cccc12)C(=O)Cc3c(Cl)cccc3Cl |
2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone |
| 21544 | G4D DB02670 ZINC000005851312 |
9 | C6 H12 O5 | InChI=1S/C6H12O5/c7-2-3-1 -4(8)5(9)6(10)11-3/h3-10H ,1-2H2/t3-,4-,5+,6-/m0/s1; HDEMQQHXNOJATE-AZGQCCRYSA-N |
C1C(OC(C(C1O)O)O)CO; C1[C@H](O[C@@H]([C@ @H]([C@H]1O)O)O)CO; OC[CH]1C[CH](O)[CH]( O)[CH](O)O1; OC[C@@H]1C[C@H](O)[C@@H](O) [C@@H](O)O1; OC1CC(OC(O)C1O)CO |
4-deoxy-alpha-D-glucopyranose; 4-DEOXY-ALPHA-D-GLUCOSE; 4-deoxy-D-glucose; 4-deoxy-glucose |
| 21545 | G4E | 1 | C21 H19 N5 O | InChI=1S/C21H19N5O/c1-14- 4-3-5-19(15(14)2)23-21-24 -20(25-26-21)16-6-8-17(9- 7-16)27-18-10-12-22-13-11 -18/h3-13H,1-2H3,(H2,23,2 4,25,26); FRUZWHLTFSTCFH-UHFFFAOYSA-N |
Cc1cccc(c1C)Nc2[nH]c(nn2)c3ccc(cc3)Oc4cc ncc4; Cc1cccc(Nc2[nH]c(nn2)c3ccc(Oc4ccnc c4)cc3)c1C |
~{N}-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-4~{H}-1,2,4-triazol-3-amine |
| 21546 | G4F | 4 | C16 H24 F N5 O15 P2 | InChI=1S/C16H24FN5O15P2/c 17-6-4(1-23)35-15(11(27)9 (6)25)36-39(31,32)37-38(2 9,30)33-2-5-8(24)10(26)14 (34-5)22-3-19-7-12(22)20- 16(18)21-13(7)28/h3-6,8-1 1,14-15,23-27H,1-2H2,(H,2 9,30)(H,31,32)(H3,18,20,2 1,28)/t4-,5-,6-,8-,9+,10- ,11+,14-,15-/m1/s1; LDMYSLGOFVDHNN-YVXBHLEUSA-N |
c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O C4C(C(C(C(O4)CO)F)O)O)O)O)N=C(NC2=O)N; c 1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP (=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@H]([C@@ H]([C@H](O4)CO)F)O)O)O)O)N=C(NC2=O)N; NC 1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O )(=O)O[P](O)(=O)O[C@H]4O[C@H](CO)[C@@H]( F)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O; NC1 =Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O )O[P](O)(=O)O[CH]4O[CH](CO)[CH](F)[CH](O )[CH]4O)[CH](O)[CH]3O |
|
| 21547 | G4G CHEMBL1188505 ZINC000024903340 |
6 | C32 H33 N5 O6 S2 | InChI=1S/C32H33N5O6S2/c33 -31(38)25-11-15-27(16-12- 25)44(40,41)36(21-23-7-3- 1-4-8-23)29-19-35-20-30(2 9)37(22-24-9-5-2-6-10-24) 45(42,43)28-17-13-26(14-1 8-28)32(34)39/h1-18,29-30 ,35H,19-22H2,(H2,33,38)(H 2,34,39)/t29-,30-/m0/s1; SSQKDDJMCKLBOH-KYJUHHDHSA-N |
NC(=O)c1ccc(cc1)[S](=O)(=O)N(Cc2ccccc2)[ C@H]3CNC[C@@H]3N(Cc4ccccc4)[S](=O)(=O)c5 ccc(cc5)C(N)=O; NC(=O)c1ccc(cc1)[S](=O)( =O)N(Cc2ccccc2)[CH]3CNC[CH]3N(Cc4ccccc4) [S](=O)(=O)c5ccc(cc5)C(N)=O; c1ccc(cc1)C N(C2CNCC2N(Cc3ccccc3)S(=O)(=O)c4ccc(cc4) C(=O)N)S(=O)(=O)c5ccc(cc5)C(=O)N; c1ccc( cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O) (=O)c4ccc(cc4)C(=O)N)S(=O)(=O)c5ccc(cc5) C(=O)N; O=S(=O)(N(C3C(N(Cc1ccccc1)S(=O)( =O)c2ccc(C(=O)N)cc2)CNC3)Cc4ccccc4)c5ccc (C(=O)N)cc5 |
4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE |
| 21548 | G4H | 1 | C37 H36 N6 O3 | InChI=1S/C37H36N6O3/c1-3- 34(44)39-27-13-14-32-33(2 1-27)43(37(46)41(32)2)28- 16-19-42(20-17-28)23-24-9 -11-26(12-10-24)35-29(25- 7-5-4-6-8-25)22-30-31(40- 35)15-18-38-36(30)45/h4-1 5,18,21-22,28H,3,16-17,19 -20,23H2,1-2H3,(H,38,45)( H,39,44); NOAOWOIAXARUHL-UHFFFAOYSA-N |
CCC(=O)Nc1ccc2c(c1)N(C(=O)N2C)C3CCN(CC3) Cc4ccc(cc4)c5c(cc6c(n5)C=CNC6=O)c7ccccc7 ; CCC(=O)Nc1ccc2N(C)C(=O)N(C3CCN(CC3)Cc4 ccc(cc4)c5nc6C=CNC(=O)c6cc5c7ccccc7)c2c1 |
~{N}-[1-methyl-2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]benzimidazol-5-yl]propanamide |
| 21549 | G4I CHEMBL1813048 ZINC000072110942 |
1 | C25 H27 F3 N6 O3 | InChI=1S/C25H27F3N6O3/c1- 16-21(31-17(2)35)4-3-5-22 (16)32-23-29-15-30-24(33- 23)34-12-10-19(11-13-34)3 6-14-18-6-8-20(9-7-18)37- 25(26,27)28/h3-9,15,19H,1 0-14H2,1-2H3,(H,31,35)(H, 29,30,32,33); QLKAFHZJICDACE-UHFFFAOYSA-N |
CC(O)=Nc1cccc(N=C2NC(=NC=N2)N3CCC(CC3)OC c4ccc(OC(F)(F)F)cc4)c1C; Cc1c(cccc1N=C(C )O)N=C2NC(=NC=N2)N3CCC(CC3)OCc4ccc(cc4)O C(F)(F)F; Cc1c(cccc1/N=C(/C)\O)/N=C/2\NC (=NC=N2)N3CCC(CC3)OCc4ccc(cc4)OC(F)(F)F |
(1~{Z})-~{N}-[2-methyl-3-[(~{E})-[6-[4-[[4-(trifluoromethyloxy)phenyl]methoxy]piperidin-1-yl]-1~{H}-1,3,5-triazin-2-ylidene]amino]phenyl]ethanimidic acid |
| 21550 | G4J CHEMBL4297477 DB15003 ZINC000526061580 |
2 | C18 H21 F2 N7 O | InChI=1S/C18H21F2N7O/c1-2 5-8-11(7-22-25)23-17-21-5 -4-15(24-17)26-9-12-2-3-1 3(10-26)27(12)16(28)14-6- 18(14,19)20/h4-5,7-8,12-1 4H,2-3,6,9-10H2,1H3,(H,21 ,23,24)/t12-,13+,14-/m0/s 1; BUWBRTXGQRBBHG-MJBXVCDLSA-N |
Cn1cc(cn1)Nc2nccc(n2)N3C[C@H]4CC[C@@H](C 3)N4C(=O)[C@@H]5CC5(F)F; N(c1nc(ccn1)N2C C3N(C(C2)CC3)C(C4C(F)(C4)F)=O)c5cnn(C)c5 ; Cn1cc(Nc2nccc(n2)N3C[CH]4CC[CH](C3)N4C (=O)[CH]5CC5(F)F)cn1; Cn1cc(Nc2nccc(n2)N 3C[C@H]4CC[C@@H](C3)N4C(=O)[C@@H]5CC5(F) F)cn1; Cn1cc(cn1)Nc2nccc(n2)N3CC4CCC(C3) N4C(=O)C5CC5(F)F |
[(1S)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone |
| 21551 | G4K | 1 | C36 H34 N6 O3 | InChI=1S/C36H34N6O3/c1-2- 33(43)38-26-12-13-31-32(2 0-26)42(36(45)40-31)27-15 -18-41(19-16-27)22-23-8-1 0-25(11-9-23)34-28(24-6-4 -3-5-7-24)21-29-30(39-34) 14-17-37-35(29)44/h3-14,1 7,20-21,27H,2,15-16,18-19 ,22H2,1H3,(H,37,44)(H,38, 43)(H,40,45); NFXSQFADJLOQHR-UHFFFAOYSA-N |
CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)C c4ccc(cc4)c5c(cc6c(n5)C=CNC6=O)c7ccccc7; CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc( cc4)c5nc6C=CNC(=O)c6cc5c7ccccc7)c2c1 |
Borussertib |
| 21552 | G4M ZINC000098208921 |
12 | C24 H36 N7 O19 P3 | InChI=1S/C24H36N7O19P3/c1 -8-15(32)11(10(3-26-8)5-4 5-51(38,39)40)4-27-13-9(2 )47-23(19(36)17(13)34)49- 53(43,44)50-52(41,42)46-6 -12-16(33)18(35)22(48-12) 31-7-28-14-20(31)29-24(25 )30-21(14)37/h3,7,9,12-13 ,16-19,22-23,27,32-36H,4- 6H2,1-2H3,(H,41,42)(H,43, 44)(H2,38,39,40)(H3,25,29 ,30,37)/t9-,12-,13-,16-,1 7+,18-,19+,22-,23-/m1/s1; BNJJFFPICXKOFM-VMLLIFSYSA-N |
C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH] 2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34 )N)[CH](O)[CH](O)[CH]1NCc5c(O)c(C)ncc5CO [P](O)(O)=O; Cc1c(c(c(cn1)COP(=O)(O)O)CN C2C(OC(C(C2O)O)OP(=O)(O)OP(=O)(O)OCC3C(C (C(O3)n4cnc5c4N=C(NC5=O)N)O)O)C)O; Cc1c( c(c(cn1)COP(=O)(O)O)CN[C@@H]2[C@H](O[C@@ H]([C@H]([C@H]2O)O)O[P@](=O)(O)O[P@](=O) (O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5 c4N=C(NC5=O)N)O)O)C)O; C[C@H]1O[C@H](O[P @@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C @H](O)[C@@H]2O)n3cnc4C(=O)NC(=Nc34)N)[C@ @H](O)[C@@H](O)[C@@H]1NCc5c(O)c(C)ncc5CO [P](O)(O)=O; O=P(OC2OC(C(NCc1c(cnc(c1O)C )COP(=O)(O)O)C(O)C2O)C)(O)OP(=O)(O)OCC5O C(n3c4N=C(N)NC(=O)c4nc3)C(O)C5O |
[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S,5S,6R)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate |
| 21553 | G4N | 1 | C36 H35 N5 O3 | InChI=1S/C36H35N5O3/c1-2- 33(42)38-29-10-6-9-27(21- 29)35(43)39-28-16-19-41(2 0-17-28)23-24-11-13-26(14 -12-24)34-30(25-7-4-3-5-8 -25)22-31-32(40-34)15-18- 37-36(31)44/h3-15,18,21-2 2,28H,2,16-17,19-20,23H2, 1H3,(H,37,44)(H,38,42)(H, 39,43); IWMRYSJODDURNY-UHFFFAOYSA-N |
CCC(=O)Nc1cccc(c1)C(=O)NC2CCN(CC2)Cc3ccc (cc3)c4c(cc5c(n4)C=CNC5=O)c6ccccc6; CCC( =O)Nc1cccc(c1)C(=O)NC2CCN(CC2)Cc3ccc(cc3 )c4nc5C=CNC(=O)c5cc4c6ccccc6 |
~{N}-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-3-(propanoylamino)benzamide |
| 21554 | G4O CHEMBL117080 ZINC000008220693 |
0 | C3 H9 N | InChI=1S/C3H9N/c1-3(2)4/h 3H,4H2,1-2H3; JJWLVOIRVHMVIS-UHFFFAOYSA-N |
CC(C)N | propan-2-amine |
| 21555 | G4P DB04022 ZINC000008217069 |
165 | C10 H17 N5 O17 P4 | InChI=1S/C10H17N5O17P4/c1 1-10-13-7-4(8(17)14-10)12 -2-15(7)9-5(16)6(30-36(26 ,27)32-34(21,22)23)3(29-9 )1-28-35(24,25)31-33(18,1 9)20/h2-3,5-6,9,16H,1H2,( H,24,25)(H,26,27)(H2,18,1 9,20)(H2,21,22,23)(H3,11, 13,14,17)/t3-,5-,6-,9-/m1 /s1; BUFLLCUFNHESEH-UUOKFMHZSA-N |
c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O )OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N; NC1= Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O )(=O)O[P](O)(O)=O)[C@@H](O[P@@](O)(=O)O[ P](O)(O)=O)[C@H]3O; NC1=Nc2n(cnc2C(=O)N1 )[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH ](O[P](O)(=O)O[P](O)(O)=O)[CH]3O; O=P(O) (O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C (O)C3OP(=O)(O)OP(=O)(O)O; c1nc2c(n1[C@H] 3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP( =O)(O)O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2 =O)N |
GUANOSINE-5',3'-TETRAPHOSPHATE; guanosine tetraphosphate; ppGpp |
| 21556 | G4Q | 1 | C34 H33 N5 O2 | InChI=1S/C34H33N5O2/c1-2- 32(40)36-27-12-14-28(15-1 3-27)39-20-18-38(19-21-39 )23-24-8-10-26(11-9-24)33 -29(25-6-4-3-5-7-25)22-30 -31(37-33)16-17-35-34(30) 41/h3-17,22H,2,18-21,23H2 ,1H3,(H,35,41)(H,36,40); QCTYKYAJKIOMDJ-UHFFFAOYSA-N |
CCC(=O)Nc1ccc(cc1)N2CCN(CC2)Cc3ccc(cc3)c 4nc5C=CNC(=O)c5cc4c6ccccc6; CCC(=O)Nc1cc c(cc1)N2CCN(CC2)Cc3ccc(cc3)c4c(cc5c(n4)C =CNC5=O)c6ccccc6 |
~{N}-[4-[4-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]phenyl]propanamide |
| 21557 | G4R CHEMBL5191615 |
4 | C27 H40 N6 O3 | InChI=1S/C27H40N6O3/c1-5- 25(34)30-27-29-22-18-24(3 6-16-8-13-32-11-6-7-12-32 )23(35-4)17-21(22)26(31-2 7)28-20-9-14-33(15-10-20) 19(2)3/h5,17-20H,1,6-16H2 ,2-4H3,(H2,28,29,30,31,34 ); JBMUWBUCVSKHLE-UHFFFAOYSA-N |
COc1cc2c(NC3CCN(CC3)C(C)C)nc(NC(=O)C=C)n c2cc1OCCCN4CCCC4; CC(C)N1CCC(Nc2nc(NC(=O )C=C)nc3cc(OCCCN4CCCC4)c(OC)cc32)CC1; CC (C)N1CCC(CC1)Nc2c3cc(c(cc3nc(n2)NC(=O)C= C)OCCCN4CCCC4)OC |
N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)prop-2-enamide |
| 21558 | G4S DB02837 ZINC000005829864 |
45 | C6 H12 O9 S | InChI=1S/C6H12O9S/c7-1-2- 5(15-16(11,12)13)3(8)4(9) 6(10)14-2/h2-10H,1H2,(H,1 1,12,13)/t2-,3-,4-,5+,6-/ m1/s1; LOTQRUGOUKUSEY-DGPNFKTASA-N |
C(C1C(C(C(C(O1)O)O)O)OS(=O)(=O)O)O; OC[C H]1O[CH](O)[CH](O)[CH](O)[CH]1O[S](O)(=O )=O; O=S(=O)(O)OC1C(OC(O)C(O)C1O)CO; C([ C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O) O)OS(=O)(=O)O)O; OC[C@H]1O[C@@H](O)[C@H] (O)[C@@H](O)[C@H]1O[S](O)(=O)=O |
4-O-sulfo-beta-D-galactopyranose; 4-O-sulfo-beta-D-galactose; 4-O-sulfo-D-galactose; 4-O-sulfo-galactose |
| 21559 | G4T | 1 | C36 H35 Cl N6 O3 | InChI=1S/C36H35ClN6O3/c1- 2-33(44)41-32-20-27(12-13 -30(32)37)40-36(46)39-26- 15-18-43(19-16-26)22-23-8 -10-25(11-9-23)34-28(24-6 -4-3-5-7-24)21-29-31(42-3 4)14-17-38-35(29)45/h3-14 ,17,20-21,26H,2,15-16,18- 19,22H2,1H3,(H,38,45)(H,4 1,44)(H2,39,40,46); JIITZXKZXZZBIZ-UHFFFAOYSA-N |
CCC(=O)Nc1cc(ccc1Cl)NC(=O)NC2CCN(CC2)Cc3 ccc(cc3)c4c(cc5c(n4)C=CNC5=O)c6ccccc6; C CC(=O)Nc1cc(NC(=O)NC2CCN(CC2)Cc3ccc(cc3) c4nc5C=CNC(=O)c5cc4c6ccccc6)ccc1Cl |
~{N}-[2-chloranyl-5-[[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]carbamoylamino]phenyl]propanamide |
| 21560 | G4U | 1 | C14 H28 S | InChI=1S/C14H28S/c1-2-3-4 -5-6-7-8-9-10-11-12-13-14 -15/h14H,2-13H2,1H3; JIHBDFISBDNMMA-UHFFFAOYSA-N |
CCCCCCCCCCCCCC=S | tetradecanethial |
| 21561 | G4V | 1 | C18 H17 F2 N5 O2 | InChI=1S/C18H17F2N5O2/c1- 26-5-4-12-7-22-17-15(12)1 6(23-10-24-17)11-2-3-14-1 3(6-11)25(9-21)8-18(19,20 )27-14/h2-3,6-7,9-10,21H, 4-5,8H2,1H3,(H,22,23,24)/ b21-9-; YVXZGNOOOFSANU-NKVSQWTQSA-N |
COCCc1c[nH]c2c1c(ncn2)c3ccc4c(c3)N(CC(O4 )(F)F)C=N; [H]/N=C\N1CC(Oc2c1cc(cc2)c3c4 c(c[nH]c4ncn3)CCOC)(F)F; n1cc(c4c1ncnc4c 3cc2N(/C=N)CC(F)(F)Oc2cc3)CCOC; COCCc1c[ nH]c2ncnc(c3ccc4OC(F)(F)CN(C=N)c4c3)c12 |
(Z)-1-{2,2-difluoro-6-[5-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}methanimine |
| 21562 | G4W | 2 | C20 H20 F2 N6 O | InChI=1S/C20H20F2N6O/c21- 15-7-14(8-16(22)9-15)18-1 -4-26-28(18)20(29)13-2-5- 27(6-3-13)19-10-17(11-23) 24-12-25-19/h7-10,12-13,1 8,26H,1-6H2/t18-/m0/s1; PZXPEVAQKNYNRX-SFHVURJKSA-N |
Fc1cc(F)cc(c1)[CH]2CCNN2C(=O)C3CCN(CC3)c 4cc(ncn4)C#N; c1c(cc(cc1F)F)C2CCNN2C(=O) C3CCN(CC3)c4cc(ncn4)C#N; c1c(cc(cc1F)F)[ C@@H]2CCNN2C(=O)C3CCN(CC3)c4cc(ncn4)C#N; Fc1cc(F)cc(c1)[C@@H]2CCNN2C(=O)C3CCN(CC 3)c4cc(ncn4)C#N |
6-[4-[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile; GSK547 |
| 21563 | G4X | 1 | C16 H32 S | InChI=1S/C16H32S/c1-2-3-4 -5-6-7-8-9-10-11-12-13-14 -15-16-17/h16H,2-15H2,1H3; RPVPMVLNCKLUBI-UHFFFAOYSA-N |
CCCCCCCCCCCCCCCC=S | hexadecanethial |
| 21564 | G4Y | 1 | C22 H19 N5 | InChI=1S/C22H19N5/c23-12- 25-19-9-8-15-6-7-16(10-17 (15)19)21-20-18(14-4-2-1- 3-5-14)11-24-22(20)27-13- 26-21/h1-7,10-13,19H,8-9H 2,(H2,23,25)(H,24,26,27)/ t19-/m0/s1; HLJVDQSXUUSDJP-IBGZPJMESA-N |
N=CN[CH]1CCc2ccc(cc12)c3ncnc4[nH]cc(c5cc ccc5)c34; N=CN[C@H]1CCc2ccc(cc12)c3ncnc4 [nH]cc(c5ccccc5)c34; [H]/N=C/N[C@H]1CCc2 c1cc(cc2)c3c4c(c[nH]c4ncn3)c5ccccc5; n3c 1ncnc(c1c(c2ccccc2)c3)c4cc5c(cc4)CCC5NC= [N@H]; c1ccc(cc1)c2c[nH]c3c2c(ncn3)c4ccc 5c(c4)C(CC5)NC=N |
N-[(1S)-6-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide |
| 21565 | G4Z | 1 | C13 H20 Cl N O2 S | InChI=1S/C13H20ClNO2S/c1- 13(2,12(16)15(3)8-9-18)17 -11-6-4-10(14)5-7-11/h4-7 ,12,16,18H,8-9H2,1-3H3/t1 2-/m1/s1; AHYZNYDXIBVDSY-GFCCVEGCSA-N |
CC(C)(C(N(C)CCS)O)Oc1ccc(cc1)Cl; CC(C)([ C@H](N(C)CCS)O)Oc1ccc(cc1)Cl; CN(CCS)[C@ H](O)C(C)(C)Oc1ccc(Cl)cc1; CN(CCS)[CH](O )C(C)(C)Oc1ccc(Cl)cc1 |
(1~{R})-2-(4-chloranylphenoxy)-2-methyl-1-[methyl(2-sulfanylethyl)amino]propan-1-ol |
| 21566 | G50 CHEMBL45068 DB07810 ZINC000000047553 |
5 | C15 H14 O5 | InChI=1S/C15H14O5/c16-10- 4-1-9(2-5-10)3-6-12(18)15 -13(19)7-11(17)8-14(15)20 /h1-2,4-5,7-8,16-17,19-20 H,3,6H2; VGEREEWJJVICBM-UHFFFAOYSA-N |
Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1; c1cc( ccc1CCC(=O)c2c(cc(cc2O)O)O)O; O=C(c1c(O) cc(O)cc1O)CCc2ccc(O)cc2 |
3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-1-ONE |
| 21567 | G51 CHEMBL5267735 ZINC000009435381 |
3 | C24 H23 F3 N4 O3 | InChI=1S/C24H23F3N4O3/c1- 2-14-3-6-16(7-4-14)18-10- 21(24(25,26)27)31-22(30-1 8)17(12-29-31)23(32)28-11 -15-5-8-19-20(9-15)34-13- 33-19/h3-9,12,18,21,30H,2 ,10-11,13H2,1H3,(H,28,32) /t18-,21+/m1/s1; AGTNDMNRULIWGD-NQIIRXRSSA-N |
O=C(c1c2n(nc1)C(CC(N2)c3ccc(cc3)CC)C(F)( F)F)NCc4cc5c(cc4)OCO5; CCc1ccc(cc1)[C@H] 2C[C@H](n3c(c(cn3)C(=O)NCc4ccc5c(c4)OCO5 )N2)C(F)(F)F; CCc1ccc(cc1)[C@H]2C[C@H](n 3ncc(C(=O)NCc4ccc5OCOc5c4)c3N2)C(F)(F)F; CCc1ccc(cc1)C2CC(n3c(c(cn3)C(=O)NCc4ccc 5c(c4)OCO5)N2)C(F)(F)F; CCc1ccc(cc1)[CH] 2C[CH](n3ncc(C(=O)NCc4ccc5OCOc5c4)c3N2)C (F)(F)F |
(5R,7S)-N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
| 21568 | G52 CHEMBL1232930 ZINC000058631450 |
22 | C30 H40 N2 O9 S | InChI=1S/C30H40N2O9S/c1-1 9(2)16-32(42(35,36)22-11- 9-21(37-3)10-12-22)17-25( 33)24(15-20-7-5-4-6-8-20) 31-30(34)40-26-18-39-29-2 7(26)23-13-14-38-28(23)41 -29/h4-12,19,23-29,33H,13 -18H2,1-3H3,(H,31,34)/t23 -,24+,25-,26+,27+,28+,29+ /m1/s1; QWMNYFXRFHGYGS-DDGGWZRMSA-N |
CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O )O[C@H]2CO[C@@H]3[C@H]2[C@H]4CCO[C@H]4O3 )O)S(=O)(=O)c5ccc(cc5)OC; O=S(=O)(c1ccc( OC)cc1)N(CC(C)C)CC(O)C(NC(=O)OC3C4C2C(OC C2)OC4OC3)Cc5ccccc5; CC(C)CN(CC(C(Cc1ccc cc1)NC(=O)OC2COC3C2C4CCOC4O3)O)S(=O)(=O) c5ccc(cc5)OC; COc1ccc(cc1)[S](=O)(=O)N(C C(C)C)C[CH](O)[CH](Cc2ccccc2)NC(=O)O[CH] 3CO[CH]4O[CH]5OCC[CH]5[CH]34; COc1ccc(cc 1)[S](=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc 2ccccc2)NC(=O)O[C@H]3CO[C@H]4O[C@@H]5OCC [C@@H]5[C@@H]34 |
(3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate |
| 21569 | G53 | 2 | C32 H39 N3 O10 S | InChI=1S/C32H39N3O10S/c1- 20(2)16-35(46(39,40)23-11 -9-22(10-12-23)29-33-26(1 8-43-29)30(37)41-3)17-27( 36)25(15-21-7-5-4-6-8-21) 34-32(38)45-28-19-44-31-2 4(28)13-14-42-31/h4-12,18 ,20,24-25,27-28,31,36H,13 -17,19H2,1-3H3,(H,34,38)/ t24-,25-,27+,28-,31+/m0/s 1; JQOKXPZOASVDIX-FHDJBOIYSA-N |
COC(=O)c1coc(n1)c2ccc(cc2)[S](=O)(=O)N(C C(C)C)C[CH](O)[CH](Cc3ccccc3)NC(=O)O[CH] 4CO[CH]5OCC[CH]45; c1(ccc(cc1)S(=O)(N(CC (O)C(NC(OC2COC3OCCC23)=O)Cc4ccccc4)CC(C) C)=O)c5occ(n5)C(=O)OC; CC(C)CN(C[C@H]([C @H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H ]2CCO3)O)S(=O)(=O)c4ccc(cc4)c5nc(co5)C(= O)OC; COC(=O)c1coc(n1)c2ccc(cc2)[S](=O)( =O)N(CC(C)C)C[C@@H](O)[C@H](Cc3ccccc3)NC (=O)O[C@H]4CO[C@H]5OCC[C@@H]45; CC(C)CN( CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(= O)(=O)c4ccc(cc4)c5nc(co5)C(=O)OC |
methyl 2-{4-[{(2R,3S)-3-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}-1,3-oxazole-4-carboxylate |
| 21570 | G54 CHEMBL4279720 |
1 | C17 H15 N5 | InChI=1S/C17H15N5/c1-17(2 2-9-18)6-4-11-2-3-12(8-14 (11)17)15-13-5-7-19-16(13 )21-10-20-15/h2-3,5,7-8,1 0,22H,4,6H2,1H3,(H,19,20, 21)/t17-/m0/s1; PTCVBQDKOCSZKC-KRWDZBQOSA-N |
C[C]1(CCc2ccc(cc12)c3ncnc4[nH]ccc34)NC#N ; C[C@@]1(CCc2ccc(cc12)c3ncnc4[nH]ccc34) NC#N; n4c3ncnc(c1cc2c(cc1)CCC2(NC#N)C)c3 cc4; C[C@@]1(CCc2c1cc(cc2)c3c4cc[nH]c4nc n3)NC#N; CC1(CCc2c1cc(cc2)c3c4cc[nH]c4nc n3)NC#N |
[(1S)-1-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]cyanamide |
| 21571 | G55 CHEMBL492254 ZINC000042875645 |
2 | C27 H38 N2 O8 S | InChI=1S/C27H38N2O8S/c1-2 0(2)16-29(38(32,33)24-11- 9-22(34-3)10-12-24)17-26( 30)25(15-21-7-5-4-6-8-21) 28-27(31)37-23-13-14-35-1 9-36-18-23/h4-12,20,23,25 -26,30H,13-19H2,1-3H3,(H, 28,31)/t23-,25+,26-/m1/s1; LEJNWIFUYPPOMU-DMTNHVFBSA-N |
COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O) [CH](Cc2ccccc2)NC(=O)O[CH]3CCOCOC3; CC(C )CN(CC(C(Cc1ccccc1)NC(=O)OC2CCOCOC2)O)S( =O)(=O)c3ccc(cc3)OC; CC(C)C[N@@](C[C@H]( [C@H](Cc1ccccc1)NC(=O)O[C@@H]2CCOCOC2)O) S(=O)(=O)c3ccc(cc3)OC; COc1ccc(cc1)[S](= O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2 )NC(=O)O[C@@H]3CCOCOC3; O=S(=O)(c1ccc(OC )cc1)N(CC(C)C)CC(O)C(NC(=O)OC2COCOCC2)Cc 3ccccc3 |
(5R)-1,3-dioxepan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate |
| 21572 | G56 | 6 | C18 H16 F3 N O5 | InChI=1S/C18H16F3NO5/c19- 18(20,21)27-14-8-6-13(7-9 -14)26-11-16(23)22-15(17( 24)25)10-12-4-2-1-3-5-12/ h1-9,15H,10-11H2,(H,22,23 )(H,24,25)/t15-/m0/s1; BLLJCGYPRKIGQL-HNNXBMFYSA-N |
c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)COc2ccc(c c2)OC(F)(F)F; OC(=O)[CH](Cc1ccccc1)NC(=O )COc2ccc(OC(F)(F)F)cc2; OC(=O)[C@H](Cc1c cccc1)NC(=O)COc2ccc(OC(F)(F)F)cc2; c1ccc (cc1)CC(C(=O)O)NC(=O)COc2ccc(cc2)OC(F)(F )F |
(2S)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid |
| 21573 | G57 | 5 | C26 H23 F3 N4 O3 | InChI=1S/C26H23F3N4O3/c1- 13(2)25(20(12-30)23(31)36 -24-22(25)14(3)32-33-24)1 8-9-17(10-19(11-18)26(27, 28)29)16-6-4-5-15(7-16)8- 21(34)35/h4-7,9-11,13H,8, 31H2,1-3H3,(H,32,33)(H,34 ,35)/t25-/m0/s1; DBCDVNKPJCGLLK-VWLOTQADSA-N |
CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)c3cccc(CC( O)=O)c3)C(=C(N)Oc4n[nH]c(C)c14)C#N; CC(C )[C@]1(c2cc(cc(c2)C(F)(F)F)c3cccc(CC(O)= O)c3)C(=C(N)Oc4n[nH]c(C)c14)C#N; Cc1c2c( n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F) c4cccc(c4)CC(=O)O)C(C)C)C#N)N; Cc1c2c(n[ nH]1)OC(=C(C2(c3cc(cc(c3)C(F)(F)F)c4cccc (c4)CC(=O)O)C(C)C)C#N)N |
2-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]ethanoic acid |
| 21574 | G58 CHEMBL1092952 ZINC000044460361 |
1 | C25 H23 Cl F N3 O4 S2 | InChI=1S/C25H23ClFN3O4S2/ c1-29-16-25(28-17-29)36(3 3,34)30(15-22-23(26)7-4-8 -24(22)27)14-18-9-11-19(1 2-10-18)20-5-3-6-21(13-20 )35(2,31)32/h3-13,16-17H, 14-15H2,1-2H3; AYVVQXQFVKEXMX-UHFFFAOYSA-N |
Cn1cc(nc1)S(=O)(=O)[N@@](Cc2ccc(cc2)c3cc cc(c3)S(=O)(=O)C)Cc4c(cccc4Cl)F; Cn1cnc( c1)[S](=O)(=O)N(Cc2ccc(cc2)c3cccc(c3)[S] (C)(=O)=O)Cc4c(F)cccc4Cl; Cn1cc(nc1)S(=O )(=O)N(Cc2ccc(cc2)c3cccc(c3)S(=O)(=O)C)C c4c(cccc4Cl)F |
N-(2-chloro-6-fluorobenzyl)-1-methyl-N-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}-1H-imidazole-4-sulfonamide |
| 21575 | G59 ZINC000263620330 |
3 | C23 H25 F N4 O | InChI=1S/C23H25FN4O/c1-3- 16-4-8-18(9-5-16)21-12-15 (2)28-22(27-21)20(14-26-2 8)23(29)25-13-17-6-10-19( 24)11-7-17/h4-11,14-15,21 ,27H,3,12-13H2,1-2H3,(H,2 5,29)/t15-,21-/m1/s1; CVQMYJIZDVAJAR-QVKFZJNVSA-N |
O=C(c3c1n(C(CC(N1)c2ccc(cc2)CC)C)nc3)NCc 4ccc(cc4)F; CCc1ccc(cc1)[C@H]2C[C@H](n3c (c(cn3)C(=O)NCc4ccc(cc4)F)N2)C; CCc1ccc( cc1)[C@H]2C[C@@H](C)n3ncc(C(=O)NCc4ccc(F )cc4)c3N2; CCc1ccc(cc1)[CH]2C[CH](C)n3nc c(C(=O)NCc4ccc(F)cc4)c3N2; CCc1ccc(cc1)C 2CC(n3c(c(cn3)C(=O)NCc4ccc(cc4)F)N2)C |
(5R,7R)-5-(4-ethylphenyl)-N-(4-fluorobenzyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
| 21576 | G5A CHEMBL1163073 ZINC000014967098 |
19 | C12 H17 N7 O7 S | InChI=1S/C12H17N7O7S/c13- 1-6(20)18-27(23,24)25-2-5 -8(21)9(22)12(26-5)19-4-1 7-7-10(14)15-3-16-11(7)19 /h3-5,8-9,12,21-22H,1-2,1 3H2,(H,18,20)(H2,14,15,16 )/t5-,8-,9-,12-/m1/s1; AMWPZASLDLLQFT-JJNLEZRASA-N |
O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C( O)C3O)CN; NCC(=O)N[S](=O)(=O)OC[C@H]1O[C @H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23; c 1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)(=O)N C(=O)CN)O)O)N; c1nc(c2c(n1)n(cn2)[C@H]3[ C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)C N)O)O)N; NCC(=O)N[S](=O)(=O)OC[CH]1O[CH] ([CH](O)[CH]1O)n2cnc3c(N)ncnc23 |
5'-O-(glycylsulfamoyl)adenosine |
| 21577 | G5B | 2 | C20 H29 Cl2 N O3 | InChI=1S/C20H29Cl2NO3/c1- 10-5-6-15-19(2,3)17(22)13 (21)9-20(15,4)12(10)8-14( 24)11-7-16(25)23-18(11)26 /h11-15,17,24H,1,5-9H2,2- 4H3,(H,23,25,26)/t11-,12+ ,13+,14+,15+,17-,20-/m1/s 1; PPKXULKLJJFMKB-RHKPTJIRSA-N |
CC1(C)[C@H](Cl)[C@@H](Cl)C[C@]2(C)[C@@H] (C[C@H](O)[C@H]3CC(=O)NC3=O)C(=C)CC[C@@H ]12; CC1(C)[CH](Cl)[CH](Cl)C[C]2(C)[CH]( C[CH](O)[CH]3CC(=O)NC3=O)C(=C)CC[CH]12; C[C@]12C[C@@H]([C@H](C([C@@H]1CCC(=C)[C@ @H]2C[C@@H]([C@H]3CC(=O)NC3=O)O)(C)C)Cl) Cl; CC1(C2CCC(=C)C(C2(CC(C1Cl)Cl)C)CC(C3 CC(=O)NC3=O)O)C |
(3~{R})-3-[(1~{S})-2-[(1~{S},4~{a}~{R},6~{S},7~{S},8~{a}~{R})-6,7-bis(chloranyl)-5,5,8~{a}-trimethyl-2-methylidene-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione |
| 21578 | G5C CHEMBL5092259 |
1 | C19 H19 N7 O2 | InChI=1S/C19H19N7O2/c1-21 -17-16-11(9-20)10-22-18(1 6)25-19(24-17)23-13-6-5-1 2(8-14(13)28-2)26-7-3-4-1 5(26)27/h5-6,8,10H,3-4,7H 2,1-2H3,(H3,21,22,23,24,2 5); MOBTUTZGYGGLCO-UHFFFAOYSA-N |
CNc1c2c(c[nH]c2nc(n1)Nc3ccc(cc3OC)N4CCCC 4=O)C#N; CNc1nc(Nc2ccc(cc2OC)N3CCCC3=O)n c4[nH]cc(C#N)c14 |
2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| 21579 | G5D CHEMBL4519857 |
1 | C21 H23 N7 O2 | InChI=1S/C21H23N7O2/c1-2- 23-20(30)14-3-5-15(6-4-14 )25-21-24-10-8-18(26-21)2 7-12-17-11-16(27)13-28(17 )19(29)7-9-22/h3-6,8,10,1 6-17H,2,7,11-13H2,1H3,(H, 23,30)(H,24,25,26)/t16-,1 7-/m0/s1; YUJXKTRZTBIDCL-IRXDYDNUSA-N |
CCNC(=O)c1ccc(Nc2nccc(n2)N3C[C@@H]4C[C@H ]3CN4C(=O)CC#N)cc1; CCNC(=O)c1ccc(Nc2ncc c(n2)N3C[CH]4C[CH]3CN4C(=O)CC#N)cc1; CCN C(=O)c1ccc(cc1)Nc2nccc(n2)N3C[C@@H]4C[C@ H]3CN4C(=O)CC#N; CCNC(=O)c1ccc(cc1)Nc2nc cc(n2)N3CC4CC3CN4C(=O)CC#N; N4(c1nc(ncc1 )Nc2ccc(cc2)C(=O)NCC)C3CN(C(C3)C4)C(CC#N )=O |
4-({4-[(1S,4S)-5-(cyanoacetyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-2-yl}amino)-N-ethylbenzamide |
| 21580 | G5E | 1 | C14 H10 F N3 O2 S | InChI=1S/C14H10FN3O2S/c15 -10-3-1-2-4-11(10)18-13(1 6-17-14(18)21)9-6-5-8(19) 7-12(9)20/h1-7,19-20H,(H, 17,21); UAZGBVUYMVWWQS-UHFFFAOYSA-N |
c1ccc(c(c1)N2C(=NNC2=S)c3ccc(cc3O)O)F; O c1ccc(c(O)c1)C2=NNC(=S)N2c3ccccc3F |
3-[2,4-bis(oxidanyl)phenyl]-4-(2-fluorophenyl)-1~{H}-1,2,4-triazole-5-thione |
| 21581 | G5F | 4 | C23 H47 N O24 P2 | InChI=1S/C23H47NO24P2/c1- 9(28)24-17-22(38)21(37)15 (4-27)47-23(17)48-16(8-46 -50(41,42)44-6-13(32)19(3 5)11(30)3-26)20(36)14(33) 7-45-49(39,40)43-5-12(31) 18(34)10(29)2-25/h10-23,2 5-27,29-38H,2-8H2,1H3,(H, 24,28)(H,39,40)(H,41,42)/ t10-,11?,12+,13-,14-,15+, 16+,17+,18-,19+,20-,21+,2 2+,23-/m0/s1; CTFVIOIQZHDZBZ-OLJBVLMTSA-N |
CC(=O)NC1C(C(C(OC1OC(COP(=O)(O)OCC(C(C(C O)O)O)O)C(C(COP(=O)(O)OCC(C(C(CO)O)O)O)O )O)CO)O)O; CC(=O)N[C@@H]1[C@@H](O)[C@H]( O)[C@@H](CO)O[C@H]1O[C@H](CO[P](O)(=O)OC [C@H](O)[C@H](O)C(O)CO)[C@@H](O)[C@@H](O )CO[P](O)(=O)OC[C@@H](O)[C@@H](O)[C@@H]( O)CO; CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O [C@H]1O[C@H](COP(=O)(O)OC[C@@H]([C@@H]([ C@H](CO)O)O)O)[C@H]([C@H](COP(=O)(O)OC[C @H]([C@H]([C@H](CO)O)O)O)O)O)CO)O)O; CC( =O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[C H](CO[P](O)(=O)OC[CH](O)[CH](O)C(O)CO)[C H](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O) [CH](O)CO |
[(2~{S},3~{S},4~{R})-4-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-[[(2~{S},3~{R})-2,3-bis(oxidanyl)butoxy]-oxidanyl-phosphoryl]oxy-2,3-bis(oxidanyl)pentyl] [(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate |
| 21582 | G5G | 0 | C6 H13 N O4 | InChI=1S/C6H13NO4/c1-6(11 ,3-8)2-4(7)5(9)10/h4,8,11 H,2-3,7H2,1H3,(H,9,10)/t4 -,6-/m0/s1; ASHXMQKUZGLXMR-NJGYIYPDSA-N |
C[C@@](O)(CO)C[C@H](N)C(O)=O; C[C](O)(CO )C[CH](N)C(O)=O; CC(CC(C(=O)O)N)(CO)O; C [C@](C[C@@H](C(=O)O)N)(CO)O; C(CC(N)C(O) =O)(CO)(C)O |
(2S,4S)-2-amino-4,5-dihydroxy-4-methylpentanoic acid |
| 21583 | G5H | 2 | C13 H18 N4 O11 S | InChI=1S/C13H18N4O11S/c14 -5(3-8(19)20)11(23)16-29( 25,26)27-4-6-9(21)10(22)1 2(28-6)17-2-1-7(18)15-13( 17)24/h1-2,5-6,9-10,12,21 -22H,3-4,14H2,(H,16,23)(H ,19,20)(H,15,18,24)/t5-,6 +,9+,10+,12+/m0/s1; PZIPESDCQNILCW-TUVSRKGYSA-N |
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@ H](O2)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O )O; C1=CN(C(=O)NC1=O)C2C(C(C(O2)COS(=O)( =O)NC(=O)C(CC(=O)O)N)O)O; N[CH](CC(O)=O) C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH ]1O)N2C=CC(=O)NC2=O; N[C@@H](CC(O)=O)C(= O)N[S](=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@ @H]1O)N2C=CC(=O)NC2=O |
5'-O-(N-(L-aspartyl)-sulfamoyl)uridine |
| 21584 | G5J | 1 | C11 H18 N5 O14 P3 | InChI=1S/C11H18N5O14P3/c1 -26-31(20,21)29-33(24,25) 30-32(22,23)27-2-4-6(17)7 (18)10(28-4)16-3-13-5-8(1 6)14-11(12)15-9(5)19/h3-4 ,6-7,10,17-18H,2H2,1H3,(H ,20,21)(H,22,23)(H,24,25) (H3,12,14,15,19)/t4-,6-,7 -,10-/m1/s1; DJZJYVFASQUZKQ-KQYNXXCUSA-N |
CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH] 1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)N=C(N)Nc 23; COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H] 1[C@H]([C@H]([C@@H](O1)n2cnc3c2NC(=NC3=O )N)O)O; CO[P](O)(=O)O[P](O)(=O)O[P](O)(= O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3 C(=O)N=C(N)Nc23; COP(=O)(O)OP(=O)(O)OP(= O)(O)OCC1C(C(C(O1)n2cnc3c2NC(=NC3=O)N)O) O; C3(=NC(c2c(n(C1OC(C(O)C1O)COP(O)(=O)O P(O)(=O)OP(=O)(O)OC)cn2)N3)=O)N |
5'-O-[(S)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(methoxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine |
| 21585 | G5K ZINC000095920613 |
3 | C22 H26 N8 O2 S | InChI=1S/C22H26N8O2S/c1-2 -19(31)30-7-5-15(14-30)24 -21-25-16(13-29-8-10-32-1 1-9-29)12-18(27-21)28-22- 26-17-4-3-6-23-20(17)33-2 2/h2-4,6,12,15H,1,5,7-11, 13-14H2,(H2,24,25,26,27,2 8)/t15-/m0/s1; LZANMDGKZJPQIB-HNNXBMFYSA-N |
C=CC(=O)N1CC[C@@H](C1)Nc2nc(cc(n2)Nc3nc4 cccnc4s3)CN5CCOCC5; C=CC(=O)N1CC[C@@H](C 1)Nc2nc(CN3CCOCC3)cc(Nc4sc5ncccc5n4)n2; O=C(\C=C)N5CCC(Nc1nc(cc(n1)Nc2nc3cccnc3s 2)CN4CCOCC4)C5; C=CC(=O)N1CC[CH](C1)Nc2n c(CN3CCOCC3)cc(Nc4sc5ncccc5n4)n2; C=CC(= O)N1CCC(C1)Nc2nc(cc(n2)Nc3nc4cccnc4s3)CN 5CCOCC5 |
1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]prop-2-en-1-one |
| 21586 | G5L CHEMBL2442509 ZINC000096286386 |
1 | C18 H15 N O4 | InChI=1S/C18H15NO4/c1-19( 11-12-5-3-2-4-6-12)14-8-7 -13-9-15(17(20)21)18(22)2 3-16(13)10-14/h2-10H,11H2 ,1H3,(H,20,21); XTKDQPFUOFAMRL-UHFFFAOYSA-N |
CN(Cc1ccccc1)c2ccc3C=C(C(O)=O)C(=O)Oc3c2 ; CN(Cc1ccccc1)c2ccc3c(c2)OC(=O)C(=C3)C( =O)O |
7-[methyl-(phenylmethyl)amino]-2-oxidanylidene-chromene-3-carboxylic acid |
| 21587 | G5M ZINC000064634061 |
1 | C13 H22 N2 O10 S | InChI=1S/C13H22N2O10S/c14 -4(3-26)11(21)15-8-10(20) 9(19)6(2-16)25-13(8)24-5( 12(22)23)1-7(17)18/h4-6,8 -10,13,16,19-20,26H,1-3,1 4H2,(H,15,21)(H,17,18)(H, 22,23)/t4-,5-,6+,8+,9+,10 +,13-/m0/s1; UHNHELGKNQMNGF-AOQKXWSCSA-N |
N[C@@H](CS)C(=O)N[C@@H]1[C@@H](O)[C@H](O )[C@@H](CO)O[C@@H]1O[C@@H](CC(O)=O)C(O)= O; C(NC1C(OC(CC(O)=O)C(O)=O)OC(C(O)C1O)C O)(C(CS)N)=O; C(C1C(C(C(C(O1)OC(CC(=O)O) C(=O)O)NC(=O)C(CS)N)O)O)O; N[CH](CS)C(=O )N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH] (CC(O)=O)C(O)=O; C([C@@H]1[C@H]([C@@H]([ C@H]([C@H](O1)O[C@@H](CC(=O)O)C(=O)O)NC( =O)[C@H](CS)N)O)O)O |
(2S)-2-{[2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranosyl]oxy}butanedioic acid |
| 21588 | G5N | 2 | C13 H19 N5 O10 S | InChI=1S/C13H19N5O10S/c14 -5(3-8(19)20)11(23)17-29( 25,26)27-4-6-9(21)10(22)1 2(28-6)18-2-1-7(15)16-13( 18)24/h1-2,5-6,9-10,12,21 -22H,3-4,14H2,(H,17,23)(H ,19,20)(H2,15,16,24)/t5-, 6+,9+,10+,12+/m0/s1; QNLPAFNBQADGSM-TUVSRKGYSA-N |
N[CH](CC(O)=O)C(=O)N[S](=O)(=O)OC[CH]1O[ CH]([CH](O)[CH]1O)N2C=CC(=NC2=O)N; N[C@@ H](CC(O)=O)C(=O)N[S](=O)(=O)OC[C@H]1O[C@ H]([C@H](O)[C@@H]1O)N2C=CC(=NC2=O)N; C1= CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H]( O2)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O; C1=CN(C(=O)N=C1N)C2C(C(C(O2)COS(=O)(=O) NC(=O)C(CC(=O)O)N)O)O |
5'-O-(N-(L-aspartyl)-sulfamoyl)cytidine |
| 21589 | G5O CHEMBL5303435 |
1 | C20 H14 Cl N O5 S | InChI=1S/C20H14ClNO5S/c21 -17-11-10-14(28(26,27)13- 6-2-1-3-7-13)12-16(17)19( 23)22-18-9-5-4-8-15(18)20 (24)25/h1-12H,(H,22,23)(H ,24,25); CLAUJSRBKSRTGQ-UHFFFAOYSA-N |
c1ccc(cc1)S(=O)(=O)c2ccc(c(c2)C(=O)Nc3cc ccc3C(=O)O)Cl; OC(=O)c1ccccc1NC(=O)c2cc( ccc2Cl)[S](=O)(=O)c3ccccc3 |
2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid |
| 21590 | G5P ZINC000261495500 |
9 | C20 H29 N10 O23 P5 | InChI=1S/C20H29N10O23P5/c 21-14-8-15(24-3-23-14)29( 4-25-8)18-12(33)10(31)6(4 8-18)1-46-54(36,37)50-56( 40,41)52-58(44,45)53-57(4 2,43)51-55(38,39)47-2-7-1 1(32)13(34)19(49-7)30-5-2 6-9-16(30)27-20(22)28-17( 9)35/h3-7,10-13,18-19,31- 34H,1-2H2,(H,36,37)(H,38, 39)(H,40,41)(H,42,43)(H,4 4,45)(H2,21,23,24)(H3,22, 27,28,35)/t6-,7-,10-,11-, 12-,13-,18-,19-/m1/s1; CNMILLPGDWDFCZ-INFSMZHSSA-N |
NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O) (=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P ](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc 6c(N)ncnc56)[CH](O)[CH]3O; c1nc(c2c(n1)n (cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@ ](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@]( =O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]( [C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O) OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4 C(C(C(O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@ @](O)(=O)O[P@@](O)(=O)O[P@@](O)(=O)O[P@] (O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H]([C@H] (O)[C@@H]4O)n5cnc6c(N)ncnc56)[C@@H](O)[C @H]3O |
P1-(5'-ADENOSYL)-P5-(5'-GUANOSYL) PENTAPHOSPHATE |
| 21591 | G5Q | 2 | C14 H20 N4 O11 S | InChI=1S/C14H20N4O11S/c1- 17-8(19)2-3-18(14(17)25)1 3-11(23)10(22)7(29-13)5-2 8-30(26,27)16-12(24)6(15) 4-9(20)21/h2-3,6-7,10-11, 13,22-23H,4-5,15H2,1H3,(H ,16,24)(H,20,21)/t6-,7+,1 0+,11+,13+/m0/s1; ICPNIEAOMPRPLI-MQZAXFGZSA-N |
CN1C(=O)C=CN(C1=O)C2C(C(C(O2)COS(=O)(=O) NC(=O)C(CC(=O)O)N)O)O; CN1C(=O)C=CN(C1=O )[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O )NC(=O)[C@H](CC(=O)O)N)O)O; CN1C(=O)C=CN ([CH]2O[CH](CO[S](=O)(=O)NC(=O)[CH](N)CC (O)=O)[CH](O)[CH]2O)C1=O; CN1C(=O)C=CN([ C@@H]2O[C@H](CO[S](=O)(=O)NC(=O)[C@@H](N )CC(O)=O)[C@@H](O)[C@H]2O)C1=O |
5'-O-(N-(L-aspartyl)-sulfamoyl)N3-methyluridine |
| 21592 | G5R CHEMBL5092802 |
4 | C27 H41 N5 O4 | InChI=1S/C27H41N5O4/c1-22 -19-28-21-31(22)11-5-10-2 9-27(33)32(20-23-6-3-4-7- 23)24-8-9-25(26(18-24)34- 2)36-17-14-30-12-15-35-16 -13-30/h8-9,18-19,21,23H, 3-7,10-17,20H2,1-2H3,(H,2 9,33); FVTOUNXWAFKVHI-UHFFFAOYSA-N |
COc1cc(ccc1OCCN2CCOCC2)N(CC3CCCC3)C(=O)N CCCn4cncc4C; Cc1cncn1CCCNC(=O)N(CC2CCCC2 )c3ccc(c(c3)OC)OCCN4CCOCC4 |
1-(cyclopentylmethyl)-1-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-[3-(5-methylimidazol-1-yl)propyl]urea |
| 21593 | G5T | 1 | C15 H16 N2 O2 | InChI=1S/C15H16N2O2/c18-1 3-4-1-3-12(11-13)14-5-2-6 -15(16-14)17-7-9-19-10-8- 17/h1-6,11,18H,7-10H2; HHRAPFSCLJQTTE-UHFFFAOYSA-N |
Oc1cccc(c1)c2cccc(n2)N3CCOCC3; c1cc(cc(c 1)O)c2cccc(n2)N3CCOCC3 |
3-(6-morpholin-4-ylpyridin-2-yl)phenol |
| 21594 | G5U | 4 | C27 H42 N6 O3 | InChI=1S/C27H42N6O3/c1-5- 25(34)30-27-29-22-18-24(3 6-16-8-13-32-11-6-7-12-32 )23(35-4)17-21(22)26(31-2 7)28-20-9-14-33(15-10-20) 19(2)3/h17-20H,5-16H2,1-4 H3,(H2,28,29,30,31,34); GCPRIPZOIVSIDT-UHFFFAOYSA-N |
CC(C)N1CCC(Nc2nc(NC(=O)CC)nc3cc(OCCCN4CC CC4)c(OC)cc32)CC1; CCC(=O)Nc1nc2cc(c(cc2 c(n1)NC3CCN(CC3)C(C)C)OC)OCCCN4CCCC4; CC C(=O)Nc1nc(NC2CCN(CC2)C(C)C)c3cc(OC)c(OC CCN4CCCC4)cc3n1 |
N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)propanamide |
| 21595 | G5V CHEMBL1650617 |
1 | C7 H6 O5 | InChI=1S/C7H6O5/c1-3-5(7( 10)11)6(9)4(8)2-12-3/h2,8 H,1H3,(H,10,11); NFPVFWUVBGEVHR-UHFFFAOYSA-N |
CC1=C(C(=O)C(=CO1)O)C(=O)O; CC1=C(C(O)=O )C(=O)C(=CO1)O; O=C(O)C1=C(OC=C(C1=O)O)C |
5-hydroxy-2-methyl-4-oxo-4H-pyran-3-carboxylic acid |
| 21596 | G5W CHEMBL4632838 |
1 | C15 H17 N3 O3 S | InChI=1S/C15H17N3O3S/c1-8 (16)14(20)18-15-17-12(9(2 )19)13(22-15)10-5-4-6-11( 7-10)21-3/h4-8H,16H2,1-3H 3,(H,17,18,20)/t8-/m1/s1; RXAAAHIWJRPSEA-MRVPVSSYSA-N |
COc1cccc(c1)c2sc(NC(=O)[C@@H](C)N)nc2C(C )=O; CC(C(=O)Nc1nc(c(s1)c2cccc(c2)OC)C(= O)C)N; C[C@H](C(=O)Nc1nc(c(s1)c2cccc(c2) OC)C(=O)C)N; COc1cccc(c1)c2sc(NC(=O)[CH] (C)N)nc2C(C)=O |
(2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide |
| 21597 | G5X | 1 | C21 H21 N5 O2 | InChI=1S/C21H21N5O2/c22-1 9(27)16-13-26(18-7-11-24- 20(23)25-18)17-12-14(4-5- 15(16)17)6-10-21(28)8-2-1 -3-9-21/h4-5,7,11-13,28H, 1-3,8-9H2,(H2,22,27)(H2,2 3,24,25); SXXLXIJRUAJXGS-UHFFFAOYSA-N |
c1cc2c(cc1C#CC3(CCCCC3)O)n(cc2C(=O)N)c4c cnc(n4)N; NC(=O)c1cn(c2ccnc(N)n2)c3cc(cc c13)C#CC4(O)CCCCC4 |
1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indole-3-carboxamide |
| 21598 | G5Y CHEMBL109448 ZINC000026973446 |
1 | C6 H4 O5 | InChI=1S/C6H4O5/c7-3-1-2- 11-5(4(3)8)6(9)10/h1-2,8H ,(H,9,10); XZUDOWCTKOXYCZ-UHFFFAOYSA-N |
OC(=O)C1=C(O)C(=O)C=CO1; O=C(O)C=1OC=CC( C=1O)=O; C1=COC(=C(C1=O)O)C(=O)O |
3-hydroxy-4-oxo-4H-pyran-2-carboxylic acid |
| 21599 | G5Z CHEMBL4645614 |
2 | C13 H14 N4 O2 S | InChI=1S/C13H14N4O2S/c1-7 (14)12(19)17-13-16-10(8(2 )18)11(20-13)9-4-3-5-15-6 -9/h3-7H,14H2,1-2H3,(H,16 ,17,19)/t7-/m1/s1; KLVIQLBTZDKJSI-SSDOTTSWSA-N |
C[C@@H](N)C(=O)Nc1sc(c2cccnc2)c(n1)C(C)= O; C[C@H](C(=O)Nc1nc(c(s1)c2cccnc2)C(=O) C)N; CC(C(=O)Nc1nc(c(s1)c2cccnc2)C(=O)C) N; C[CH](N)C(=O)Nc1sc(c2cccnc2)c(n1)C(C) =O |
(2~{R})-2-azanyl-~{N}-(4-ethanoyl-5-pyridin-3-yl-1,3-thiazol-2-yl)propanamide |
| 21600 | G60 ZINC000000129247 |
4 | C11 H13 Cl N2 | InChI=1S/C11H13ClN2/c1-7- 9(4-5-13)10-6-8(12)2-3-11 (10)14-7/h2-3,6,14H,4-5,1 3H2,1H3; PPPQHAMKVHECAL-UHFFFAOYSA-N |
Cc1c(c2cc(ccc2[nH]1)Cl)CCN; Cc1[nH]c2ccc (Cl)cc2c1CCN |
2-(5-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine |