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| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 26801 |  H45 CHEMBL3128245 ZINC000098208985 |
2 | C25 H25 N5 S2 | InChI=1S/C25H25N5S2/c26-2 4(22-9-3-13-31-22)29-20-7 -1-5-18(15-20)11-12-28-17 -19-6-2-8-21(16-19)30-25( 27)23-10-4-14-32-23/h1-10 ,13-16,28H,11-12,17H2,(H2 ,26,29)(H2,27,30); XOPUOZGTJJXXTH-UHFFFAOYSA-N |
c1cc(cc(c1)NC(=N)c2cccs2)CCNCc3cccc(c3)N C(=N)c4cccs4; N=C(Nc1cccc(CCNCc2cccc(NC( =N)c3sccc3)c2)c1)c4sccc4; s1cccc1C(=[N@H ])Nc2cccc(c2)CCNCc3cc(ccc3)NC(=[N@H])c4s ccc4; [H]/N=C(\c1cccs1)/Nc2cccc(c2)CCNCc 3cccc(c3)N/C(=N\[H])/c4cccs4 |
N-(3-{2-[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide |
| 26802 |  H46 CHEMBL1823578 ZINC000043207267 |
1 | C34 H36 F N5 O2 | InChI=1S/C34H36FN5O2/c1-3 -38(4-2)34(42)32(25-11-6- 5-7-12-25)40-21-19-39(20- 22-40)31-17-16-27(23-30(3 1)35)37-33(41)29-15-9-8-1 4-28(29)26-13-10-18-36-24 -26/h5-18,23-24,32H,3-4,1 9-22H2,1-2H3,(H,37,41)/t3 2-/m0/s1; OVUNRYUVDVWTTE-YTTGMZPUSA-N |
CCN(CC)C(=O)[C@H](c1ccccc1)N2CCN(CC2)c3c cc(cc3F)NC(=O)c4ccccc4c5cccnc5; CCN(CC)C (=O)C(c1ccccc1)N2CCN(CC2)c3ccc(cc3F)NC(= O)c4ccccc4c5cccnc5; CCN(CC)C(=O)[CH](N1C CN(CC1)c2ccc(NC(=O)c3ccccc3c4cccnc4)cc2F )c5ccccc5; CCN(CC)C(=O)[C@@H](N1CCN(CC1) c2ccc(NC(=O)c3ccccc3c4cccnc4)cc2F)c5cccc c5 |
~{N}-[4-[4-[(1~{S})-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-pyridin-3-yl-benzamide |
| 26803 |  H47 |
1 | C12 H12 N2 O3 | InChI=1S/C12H12N2O3/c1-16 -10-4-2-3-9(7-10)8-12(15) 13-11-5-6-17-14-11/h2-7H, 8H2,1H3,(H,13,14,15); LFZVRGLOBRIGDU-UHFFFAOYSA-N |
N(C(Cc1cccc(OC)c1)=O)c2ccon2; COc1cccc(C C(=O)Nc2ccon2)c1; COc1cccc(c1)CC(=O)Nc2c con2 |
2-(3-methoxyphenyl)-N-(1,2-oxazol-3-yl)acetamide |
| 26804 |  H48 CHEMBL2392656 ZINC000000057029 |
3 | C14 H14 O2 | InChI=1S/C14H14O2/c1-10(1 1-2-6-13(15)7-3-11)12-4-8 -14(16)9-5-12/h2-10,15-16 H,1H3; HCNHNBLSNVSJTJ-UHFFFAOYSA-N |
CC(c1ccc(cc1)O)c2ccc(cc2)O; CC(c1ccc(O)c c1)c2ccc(O)cc2 |
4-[1-(4-hydroxyphenyl)ethyl]phenol |
| 26805 |  H49 ZINC000223077829 |
1 | C17 H22 N4 S | InChI=1S/C17H22N4S/c18-17 (16-7-3-9-22-16)21-14-5-1 -4-13(10-14)11-19-12-15-6 -2-8-20-15/h1,3-5,7,9-10, 15,19-20H,2,6,8,11-12H2,( H2,18,21)/t15-/m0/s1; MRTCFHYZEYSLIF-HNNXBMFYSA-N |
c1cc(cc(c1)NC(=N)c2cccs2)CNCC3CCCN3; N=C (Nc1cccc(CNC[CH]2CCCN2)c1)c3sccc3; c1cc( cc(c1)NC(=N)c2cccs2)CNC[C@@H]3CCCN3; N=C (Nc1cccc(CNC[C@@H]2CCCN2)c1)c3sccc3 |
(S)-N-(3-(((Pyrrolidin-2-ylmethyl)amino)methyl)phenyl)thiophene-2-carboximidamide |
| 26806 |  H4A |
1 | C15 H20 N2 O | InChI=1S/C15H20N2O/c18-14 -7-12(10-4-2-1-3-5-10)13- 6-11-8-16-9-15(11,14)17-1 3/h1-5,11-14,16-18H,6-9H2 /t11-,12-,13-,14-,15+/m1/ s1; WNBPFOXFPIFLPO-RYPNDVFKSA-N |
c1ccc(cc1)C2CC(C34CNCC3CC2N4)O; N1CC3C4( C1)C(O)CC(c2ccccc2)C(C3)N4; c1ccc(cc1)[C @H]2C[C@H]([C@]34CNC[C@H]3C[C@H]2N4)O; O [C@@H]1C[C@@H]([C@H]2C[C@@H]3CNC[C@@]13N 2)c4ccccc4; O[CH]1C[CH]([CH]2C[CH]3CNC[C ]13N2)c4ccccc4 |
(3aR,4R,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol |
| 26807 |  H4B CHEMBL1201774 DB00360 ZINC000013585233 |
3001 | C9 H15 N5 O3 | InChI=1S/C9H15N5O3/c1-3(1 5)6(16)4-2-11-7-5(12-4)8( 17)14-9(10)13-7/h3-4,6,12 ,15-16H,2H2,1H3,(H4,10,11 ,13,14,17)/t3-,4+,6-/m0/s 1; FNKQXYHWGSIFBK-RPDRRWSUSA-N |
O=C1C=2NC(CNC=2N=C(N1)N)C(O)C(O)C; CC(C( C1CNC2=C(N1)C(=O)NC(=N2)N)O)O; C[C@@H]([ C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O; C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N C(=N2)N; C[CH](O)[CH](O)[CH]1CNC2=C(N1)C (=O)NC(=N2)N |
5,6,7,8-TETRAHYDROBIOPTERIN |
| 26808 |  H4C ZINC000103544273 |
1 | C17 H16 Cl N4 S | InChI=1S/C17H15ClN4S/c1-3 -11-8-13-16(12-6-4-5-7-14 (12)18)19-9-15-21-20-10(2 )22(15)17(13)23-11/h4-8H, 3,9H2,1-2H3/p+1; VMZUTJCNQWMAGF-UHFFFAOYSA-O |
CCc1cc2c(s1)-[n+]3c([nH]nc3CN=C2c4ccccc4 Cl)C; CCc1sc2c(c1)C(=NCc3n[nH]c(C)[n+]23 )c4ccccc4Cl; Clc4ccccc4C2=NCc1nnc([n+]1c 3sc(cc23)CC)C |
4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium; 7-(2-chlorophenyl)-4-ethyl-13-methyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene |
| 26809 |  H4D CHEMBL574401 ZINC000170121744 |
2 | C13 H12 B N O5 S | InChI=1S/C13H12BNO5S/c16- 12(7-11-2-1-3-21-11)15-10 -5-8(13(17)18)4-9(6-10)14 (19)20/h1-6,19-20H,7H2,(H ,15,16)(H,17,18); CFVZHOLBBPQSIQ-UHFFFAOYSA-N |
OB(O)c1cc(NC(=O)Cc2sccc2)cc(c1)C(O)=O; B (c1cc(cc(c1)NC(=O)Cc2cccs2)C(=O)O)(O)O; N(C(=O)Cc1cccs1)c2cc(cc(c2)C(=O)O)B(O)O |
3-borono-5-{[(thiophen-2-yl)acetyl]amino}benzoic acid |
| 26810 |  H4E ZINC000001437416 |
1 | C9 H10 Br N O2 | InChI=1S/C9H10BrNO2/c1-2- 13-9(12)6-3-4-8(11)7(10)5 -6/h3-5H,2,11H2,1H3; NOGUJGZZMMKQOZ-UHFFFAOYSA-N |
CCOC(=O)c1ccc(c(c1)Br)N; CCOC(=O)c1ccc(N )c(Br)c1 |
ethyl 4-azanyl-3-bromanyl-benzoate |
| 26811 |  H4G |
2 | C13 H10 F2 N2 O | InChI=1S/C13H10F2N2O/c14- 10-4-3-9(12(15)7-10)6-13( 18)17-11-2-1-5-16-8-11/h1 -5,7-8H,6H2,(H,17,18); RWAUIOABZSEIGJ-UHFFFAOYSA-N |
c1cc(cnc1)NC(=O)Cc2ccc(cc2F)F; Fc1ccc(CC (=O)Nc2cccnc2)c(F)c1; N(C(Cc1ccc(F)cc1F) =O)c2cccnc2 |
2-(2,4-difluorophenyl)-N-(pyridin-3-yl)acetamide |
| 26812 |  H4H |
2 | C15 H15 Cl N2 O3 S | InChI=1S/C15H15ClN2O3S/c1 6-14-7-12(4-3-11(14)8-17) 22(20,21)18-15(19)13-6-9- 1-2-10(13)5-9/h3-4,7,9-10 ,13H,1-2,5-6H2,(H,18,19)/ t9-,10+,13-/m0/s1; RHQQLCMXOXXSOP-CWSCBRNRSA-N |
c1cc(c(cc1S(=O)(=O)NC(=O)C2CC3CCC2C3)Cl) C#N; c1cc(c(cc1S(=O)(=O)NC(=O)[C@H]2C[C@ H]3CC[C@@H]2C3)Cl)C#N; Clc1cc(ccc1C#N)[S ](=O)(=O)NC(=O)[CH]2C[CH]3CC[CH]2C3; Clc 1cc(ccc1C#N)[S](=O)(=O)NC(=O)[C@H]2C[C@H ]3CC[C@@H]2C3 |
(1~{R},2~{S},4~{S})-~{N}-(3-chloranyl-4-cyano-phenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide |
| 26813 |  H4I |
2 | C23 H19 F5 N2 O4 S2 | InChI=1S/C23H19F5N2O4S2/c 24-18-8-10-22(20(25)12-18 )36(33,34)29-19-9-5-16-2- 1-11-30(21(16)13-19)35(31 ,32)14-15-3-6-17(7-4-15)2 3(26,27)28/h3-10,12-13,29 H,1-2,11,14H2; PMLXLBGKCCNMHT-UHFFFAOYSA-N |
Fc1ccc(c(F)c1)[S](=O)(=O)Nc2ccc3CCCN(c3c 2)[S](=O)(=O)Cc4ccc(cc4)C(F)(F)F; c1cc(c cc1CS(=O)(=O)N2CCCc3c2cc(cc3)NS(=O)(=O)c 4ccc(cc4F)F)C(F)(F)F |
2,4-difluoro-N-(1-((4-(trifluoromethyl)benzyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide |
| 26814 |  H4K CHEMBL540497 ZINC000042989022 |
1 | C15 H10 N6 O | InChI=1S/C15H10N6O/c16-6- 12-8-19-14(9-17-12)21-15( 22)20-13-5-10-3-1-2-4-11( 10)7-18-13/h1-5,7-9H,(H2, 18,19,20,21,22); GFPBJOCJVKFSBK-UHFFFAOYSA-N |
O=C(Nc1cnc(cn1)C#N)Nc2cc3ccccc3cn2; c1cc c2cnc(cc2c1)NC(=O)Nc3cnc(cn3)C#N; O=C(Nc 1ncc(nc1)C#N)Nc2ncc3c(c2)cccc3 |
1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea |
| 26815 |  H4L CHEMBL4752810 |
1 | C20 H21 N3 O3 | InChI=1S/C20H21N3O3/c1-15 (25)20-21-10-11-23(20)14- 18-13-19(26-22-18)9-8-17- 6-4-16(5-7-17)3-2-12-24/h 4-7,10-11,13,15,24-25H,2- 3,12,14H2,1H3/t15-/m0/s1; ADTNNAQOIVHYIK-HNNXBMFYSA-N |
C[CH](O)c1nccn1Cc2cc(on2)C#Cc3ccc(CCCO)c c3; C[C@@H](c1nccn1Cc2cc(on2)C#Cc3ccc(cc 3)CCCO)O; CC(c1nccn1Cc2cc(on2)C#Cc3ccc(c c3)CCCO)O; C[C@H](O)c1nccn1Cc2cc(on2)C#C c3ccc(CCCO)cc3 |
3-[4-[2-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]propan-1-ol |
| 26816 |  H4M |
81 | C31 H45 N6 O16 P | InChI=1S/C31H45N6O16P/c1- 13-22-14(2)36(12-37(22)23 -27(33-13)34-31(32)35-28( 23)45)16-5-3-15(4-6-16)9- 17(38)24(42)18(39)10-50-3 0-26(44)25(43)20(52-30)11 -51-54(48,49)53-19(29(46) 47)7-8-21(40)41/h3-6,13-1 4,17-20,22,24-26,30,38-39 ,42-44H,7-12H2,1-2H3,(H,4 0,41)(H,46,47)(H,48,49)(H 4,32,33,34,35,45)/t13-,14 +,17-,18+,19?,20+,22+,24- ,25+,26+,30-/m0/s1; GBMIGEWJAPFSQI-UQXKJNEMSA-N |
C[C@@H]1NC2=C(N3CN([C@H](C)[C@@H]13)c4cc c(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]5O[C@H ](CO[P](O)(=O)OC(CCC(O)=O)C(O)=O)[C@@H]( O)[C@H]5O)cc4)C(=O)NC(=N2)N; N1=C(N)NC(C 2=C1NC(C3N2CN(C3C)c4ccc(cc4)CC(C(O)C(O)C OC5OC(COP(=O)(O)OC(CCC(=O)O)C(=O)O)C(O)C 5O)O)C)=O; C[CH]1NC2=C(N3CN([CH](C)[CH]1 3)c4ccc(C[CH](O)[CH](O)[CH](O)CO[CH]5O[C H](CO[P](O)(=O)OC(CCC(O)=O)C(O)=O)[CH](O )[CH]5O)cc4)C(=O)NC(=N2)N; CC1C2C(N(CN2C 3=C(N1)N=C(NC3=O)N)c4ccc(cc4)CC(C(C(COC5 C(C(C(O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O) O)O)O)O)C; C[C@H]1[C@@H]2[C@H](N(CN2C3=C (N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H] (C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(= O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C |
5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN |
| 26817 |  H4N CHEMBL325917 ZINC000000081120 |
4 | C8 H6 Br N | InChI=1S/C8H6BrN/c9-7-1-2 -8-6(5-7)3-4-10-8/h1-5,10 H; VXWVFZFZYXOBTA-UHFFFAOYSA-N |
c1cc2c(cc[nH]2)cc1Br; Brc1ccc2[nH]ccc2c1 | 5-bromanyl-1~{H}-indole |
| 26818 |  H4O CHEMBL4784327 |
1 | C20 H21 N3 O3 | InChI=1S/C20H21N3O3/c1-15 (25)20-21-10-11-23(20)14- 18-13-19(26-22-18)17-8-6- 16(7-9-17)5-3-2-4-12-24/h 6-11,13,15,24-25H,2,4,12, 14H2,1H3/t15-/m0/s1; LYWGLMYUHVPQCZ-HNNXBMFYSA-N |
CC(c1nccn1Cc2cc(on2)c3ccc(cc3)C#CCCCO)O; C[CH](O)c1nccn1Cc2cc(on2)c3ccc(cc3)C#CC CCO; C[C@@H](c1nccn1Cc2cc(on2)c3ccc(cc3) C#CCCCO)O; C[C@H](O)c1nccn1Cc2cc(on2)c3c cc(cc3)C#CCCCO |
5-[4-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]pent-4-yn-1-ol |
| 26819 |  H4P DB02992 ZINC000024775490 |
2 | C7 H19 N O11 P2 | InChI=1S/C7H19NO11P2/c9-4 (1-8-3-20(13,14)15)6(11)7 (12)5(10)2-19-21(16,17)18 /h4-12H,1-3H2,(H2,13,14,1 5)(H2,16,17,18)/t4-,5-,6- ,7-/m1/s1; YAEYOLVKVWEHNB-DBRKOABJSA-N |
O[C@H](CNC[P](O)(O)=O)[C@@H](O)[C@H](O)[ C@H](O)CO[P](O)(O)=O; C(C(C(C(C(COP(=O)( O)O)O)O)O)O)NCP(=O)(O)O; O[CH](CNC[P](O) (O)=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O ; O=P(O)(O)OCC(O)C(O)C(O)C(O)CNCP(=O)(O) O; C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O )O)O)O)O)O)NCP(=O)(O)O |
1-DEOXY-6-O-PHOSPHONO-1-[(PHOSPHONOMETHYL)AMINO]-L-THREO-HEXITOL |
| 26820 |  H4Q ZINC000002041161 |
1 | C10 H14 O | InChI=1S/C10H14O/c1-3-8(2 )9-4-6-10(11)7-5-9/h4-8,1 1H,3H2,1-2H3/t8-/m1/s1; ZUTYZAFDFLLILI-MRVPVSSYSA-N |
CC[CH](C)c1ccc(O)cc1; CC[C@@H](C)c1ccc(c c1)O; CCC(C)c1ccc(cc1)O; CC[C@@H](C)c1cc c(O)cc1 |
4-[(2~{R})-butan-2-yl]phenol |
| 26821 |  H4R CHEMBL4798122 |
1 | C26 H28 N4 O4 | InChI=1S/C26H28N4O4/c1-17 (31)26-27-10-12-30(26)14- 20-13-24(34-28-20)19-7-4- 18(5-8-19)6-9-21-22-15-29 (16-23(21)22)11-2-3-25(32 )33/h4-5,7-8,10,12-13,17, 21-23,31H,2-3,11,14-16H2, 1H3,(H,32,33)/t17-,21-,22 -,23+/m0/s1; PULUMLQUYYSBOR-KEIZBESESA-N |
C[CH](O)c1nccn1Cc2cc(on2)c3ccc(cc3)C#CC4 [CH]5CN(CCCC(O)=O)C[CH]45; C[C@@H](c1ncc n1Cc2cc(on2)c3ccc(cc3)C#CC4[C@H]5[C@@H]4 CN(C5)CCCC(=O)O)O; C[C@H](O)c1nccn1Cc2cc (on2)c3ccc(cc3)C#CC4[C@H]5CN(CCCC(O)=O)C [C@@H]45; CC(c1nccn1Cc2cc(on2)c3ccc(cc3) C#CC4C5C4CN(C5)CCCC(=O)O)O |
4-[(1~{R},5~{S})-6-[2-[4-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]-3-azabicyclo[3.1.0]hexan-3-yl]butanoic acid |
| 26822 |  H4S ZINC000096086668 |
2 | C50 H100 N2 O7 | InChI=1S/C50H100N2O7/c1-3 -5-7-9-11-13-15-17-18-19- 20-21-22-23-24-25-26-27-2 9-31-33-35-37-39-46(55)52 -43(41-51-42-40-45(54)49( 58)50(59)48(42)57)47(56)4 4(53)38-36-34-32-30-28-16 -14-12-10-8-6-4-2/h42-45, 47-51,53-54,56-59H,3-41H2 ,1-2H3,(H,52,55)/t42-,43- ,44+,45-,47-,48-,49+,50+/ m0/s1; XXEARWSQDQWKKF-KVWQTNEHSA-N |
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CN [C@H]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1O) [C@H](O)[C@H](O)CCCCCCCCCCCCCC; CCCCCCCC CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CN[C@H]1C[ C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)[C@@H]( [C@@H](CCCCCCCCCCCCCC)O)O; O=C(NC(C(O)C( O)CCCCCCCCCCCCCC)CNC1C(O)C(O)C(O)C(O)C1) CCCCCCCCCCCCCCCCCCCCCCCCC; CCCCCCCCCCCCC CCCCCCCCCCCCC(=O)N[CH](CN[CH]1C[CH](O)[C H](O)[CH](O)[CH]1O)[CH](O)[CH](O)CCCCCCC CCCCCCC; CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N C(CNC1CC(C(C(C1O)O)O)O)C(C(CCCCCCCCCCCCC C)O)O |
N-[(2S,3S,4R)-3,4-dihydroxy-1-{[(1S,2S,3R,4R,5S)-2,3,4,5-tetrahydroxycyclohexyl]amino}octadecan-2-yl]hexacosanamide |
| 26823 |  H4T CHEMBL4442449 ZINC000095965539 |
2 | C14 H15 Cl2 N O2 | InChI=1S/C14H15Cl2NO2/c15 -9-6-10(16)12(11(18)7-9)1 3(19)17-5-4-14(8-17)2-1-3 -14/h6-7,18H,1-5,8H2; DGXBFJCZWBOKKO-UHFFFAOYSA-N |
Oc1cc(Cl)cc(Cl)c1C(=O)N2CCC3(CCC3)C2; c1 c(cc(c(c1O)C(=O)N2CCC3(C2)CCC3)Cl)Cl |
6-azaspiro[3.4]octan-6-yl-[2,4-bis(chloranyl)-6-oxidanyl-phenyl]methanone |
| 26824 |  H4U |
2 | C20 H28 N8 O2 | InChI=1S/C20H28N8O2/c1-2- 16-18(19(21)24-20(22)23-1 6)30-12-4-3-11-29-15-9-5- 7-14(13-15)8-6-10-17-25-2 7-28-26-17/h5,7,9,13H,2-4 ,6,8,10-12H2,1H3,(H4,21,2 2,23,24)(H,25,26,27,28); QSPOUTDHJRMRRP-UHFFFAOYSA-N |
CCc1c(c(nc(n1)N)N)OCCCCOc2cccc(c2)CCCc3[ nH]nnn3; CCc1nc(N)nc(N)c1OCCCCOc1cccc(CC Cc2nnn[NH]2)c1; CCc1nc(N)nc(N)c1OCCCCOc2 cccc(CCCc3[nH]nnn3)c2 |
6-ethyl-5-(4-{3-[3-(1H-tetrazol-5-yl)propyl]phenoxy}butoxy)pyrimidine-2,4-diamine |
| 26825 |  H4V CHEMBL2312867 ZINC000095595329 |
1 | C14 H13 I N4 O6 S | InChI=1S/C14H13IN4O6S/c1- 24-11-7-10(15)16-13(17-11 )18-14(21)19-26(22,23)9-6 -4-3-5-8(9)12(20)25-2/h3- 7H,1-2H3,(H2,16,17,18,19, 21); BVAUTKRGQQEKQM-UHFFFAOYSA-N |
COC(=O)c1ccccc1[S](=O)(=O)NC(=O)Nc2nc(I) cc(OC)n2; COc1cc(nc(n1)NC(=O)NS(=O)(=O)c 2ccccc2C(=O)OC)I; Ic1cc(nc(n1)NC(=O)NS(= O)(c2ccccc2C(OC)=O)=O)OC |
methyl 2-{[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate |
| 26826 |  H4W ZINC000095921090 |
2 | C22 H30 F N3 O | InChI=1S/C22H30FN3O/c1-16 -10-20(26-22(24)11-16)13- 18-14-25-15-21(18)27-9-4- 2-3-6-17-7-5-8-19(23)12-1 7/h5,7-8,10-12,18,21,25H, 2-4,6,9,13-15H2,1H3,(H2,2 4,26)/t18-,21+/m1/s1; AQTALODLFZOZJL-NQIIRXRSSA-N |
Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3 cccc(c3)F; Cc1cc(N)nc(C[CH]2CNC[CH]2OCCC CCc3cccc(F)c3)c1; Fc1cccc(c1)CCCCCOC2C(C NC2)Cc3nc(N)cc(c3)C; Cc1cc(N)nc(C[C@@H]2 CNC[C@@H]2OCCCCCc3cccc(F)c3)c1; Cc1cc(nc (c1)N)CC2CNCC2OCCCCCc3cccc(c3)F |
6-{[(3R,4R)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine |
| 26827 |  H4X ZINC000030729994 |
27 | C42 H64 O2 | InChI=1S/C42H64O2/c1-35(2 3-15-25-37(3)27-17-29-39( 5)31-19-33-41(7,8)43-11)2 1-13-14-22-36(2)24-16-26- 38(4)28-18-30-40(6)32-20- 34-42(9,10)44-12/h13-18,2 1-30H,19-20,31-34H2,1-12H 3/b14-13+,23-15+,24-16+,2 7-17+,28-18+,35-21+,36-22 +,37-25+,38-26+,39-29+,40 -30+; LCTIOHZQWXQPIB-VYCPWLLESA-N |
COC(C)(C)CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC =C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)OC; CC( =CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C (C)CCCC(C)(C)OC)C)C)CCCC(C)(C)OC; C/C(=C \C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C \C=C(\CCCC(OC)(C)C)/C)/C)/C)\C)\C)/CCCC( OC)(C)C; COC(C)(C)CCC\C(C)=C\C=C\C(C)=C\ C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C (/C)CCCC(C)(C)OC |
(6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E})-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-6,8,10,12,14,16,18,20,22,24,26-undecaene |
| 26828 |  H4Y |
1 | C17 H17 N O2 | InChI=1S/C17H17NO2/c1-20- 14-10-8-13(9-11-14)15-5-2 -3-6-16(15)18-12-4-7-17(1 8)19/h2-3,5-6,8-11H,4,7,1 2H2,1H3; GLHCKAVYQJNFHF-UHFFFAOYSA-N |
COc1ccc(cc1)c2ccccc2N3CCCC3=O; N1(C(CCC1 )=O)c3c(c2ccc(cc2)OC)cccc3 |
1-(4'-methoxy[1,1'-biphenyl]-2-yl)pyrrolidin-2-one |
| 26829 |  H4Z |
2 | C31 H45 N6 O17 P | InChI=1S/C31H45N6O17P/c1- 13(22-14(2)34-27-23(37(22 )12-38)28(46)36-31(32)35- 27)33-16-5-3-15(4-6-16)9- 17(39)24(43)18(40)10-51-3 0-26(45)25(44)20(53-30)11 -52-55(49,50)54-19(29(47) 48)7-8-21(41)42/h3-6,12-1 4,17-20,22,24-26,30,33,39 -40,43-45H,7-11H2,1-2H3,( H,41,42)(H,47,48)(H,49,50 )(H4,32,34,35,36,46)/t13- ,14?,17?,18?,19?,20?,22+, 24?,25?,26?,30?/m1/s1; RMPHWTMYCVTPKB-BKULHTCLSA-N |
C[C@@H](Nc1ccc(CC(O)C(O)C(O)COC2OC(CO[P] (O)(=O)OC(CCC(O)=O)C(O)=O)C(O)C2O)cc1)[C @H]3[C@H](C)NC4=C(N3C=O)C(=O)NC(=N4)N; C [CH](Nc1ccc(CC(O)C(O)C(O)COC2OC(CO[P](O) (=O)OC(CCC(O)=O)C(O)=O)C(O)C2O)cc1)[CH]3 [CH](C)NC4=C(N3C=O)C(=O)NC(=N4)N; CC1[C@ @H](N(C2=C(N1)N=C(NC2=O)N)C=O)[C@@H](C)N c3ccc(cc3)C[C@H]([C@H]([C@H](CO[C@@H]4[C @@H]([C@@H]([C@@H](O4)CO[P@@](=O)(O)O[C@ @H](CCC(=O)O)C(=O)O)O)O)O)O)O; CC1C(N(C2 =C(N1)N=C(NC2=O)N)C=O)C(C)Nc3ccc(cc3)CC( C(C(COC4C(C(C(O4)COP(=O)(O)OC(CCC(=O)O)C (=O)O)O)O)O)O)O; O=C2NC(=NC=1NC(C)C(N(C= O)C=12)C(Nc3ccc(cc3)CC(O)C(O)C(O)COC4OC( C(O)C4O)COP(=O)(OC(C(=O)O)CCC(=O)O)O)C)N |
5-(4-{[1-(2-AMINO-5-FORMYL-7-METHYL-4-OXO-3,4,5,6,7,8-HEXAHYDROPTERIDIN-6-YL)ETHYL]AMINO}PHENYL)-5-DEOXY-1-O-{5-O-[(1,3-DICARBOXYPROPOXY)(HYDROXY)PHOSPHORYL]PENTOFURANOSYL}PENTITOL |
| 26830 |  H50 CHEMBL196945 DB16825 ZINC000003986651 |
6 | C16 H11 Cl2 F O2 | InChI=1S/C16H11Cl2FO2/c17 -12-4-1-9(7-13(12)18)11-3 -2-10(8-14(11)19)16(5-6-1 6)15(20)21/h1-4,7-8H,5-6H 2,(H,20,21); LIYLTQQDABRNRX-UHFFFAOYSA-N |
Clc3ccc(c1c(F)cc(cc1)C2(C(=O)O)CC2)cc3Cl ; OC(=O)C1(CC1)c2ccc(c(F)c2)c3ccc(Cl)c(C l)c3; c1cc(c(cc1c2ccc(cc2F)C3(CC3)C(=O)O )Cl)Cl |
1-(3',4'-dichloro-2-fluorobiphenyl-4-yl)cyclopropanecarboxylic acid |
| 26831 |  H52 CHEMBL406821 DB07876 ZINC000000022706 |
10 | C16 H21 N3 O2 S | InChI=1S/C16H21N3O2S/c1-1 2-9-18-11-14-5-3-6-15(16( 12)14)22(20,21)19-8-4-7-1 7-10-13(19)2/h3,5-6,9,11, 13,17H,4,7-8,10H2,1-2H3/t 13-/m0/s1; AWDORCFLUJZUQS-ZDUSSCGKSA-N |
Cc1cncc2c1c(ccc2)S(=O)(=O)N3CCCNCC3C; Cc 1cncc2c1c(ccc2)S(=O)(=O)[N@]3CCCNC[C@@H] 3C; C[CH]1CNCCCN1[S](=O)(=O)c2cccc3cncc( C)c23; C[C@H]1CNCCCN1[S](=O)(=O)c2cccc3c ncc(C)c23; O=S(=O)(c2c1c(cncc1ccc2)C)N3C (CNCCC3)C |
(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE |
| 26832 |  H53 CHEMBL1233215 ZINC000016052026 |
2 | C12 H16 O7 | InChI=1S/C12H16O7/c13-4-8 -9(16)10(17)11(18)12(19-8 )6-3-5(14)1-2-7(6)15/h1-3 ,8-18H,4H2/t8-,9-,10+,11- ,12+/m1/s1; QRWWXASRKFWQRP-ZIQFBCGOSA-N |
OC1C(O)C(O)C(OC1CO)c2cc(O)ccc2O; c1cc(c( cc1O)C2C(C(C(C(O2)CO)O)O)O)O; c1cc(c(cc1 O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO) O)O)O)O; OC[CH]1O[CH]([CH](O)[CH](O)[CH] 1O)c2cc(O)ccc2O; OC[C@H]1O[C@H]([C@H](O) [C@@H](O)[C@@H]1O)c2cc(O)ccc2O |
(1S)-1,5-anhydro-1-(2,5-dihydroxyphenyl)-D-glucitol; 2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL |
| 26833 |  H54 CHEMBL1869629 ZINC000006714735 |
1 | C14 H14 N2 O | InChI=1S/C14H14N2O/c1-11- 4-2-5-12(8-11)9-14(17)16- 13-6-3-7-15-10-13/h2-8,10 H,9H2,1H3,(H,16,17); AHPALPGTXJXWGY-UHFFFAOYSA-N |
Cc1cccc(c1)CC(=O)Nc2cccnc2; Cc1cccc(CC(= O)Nc2cccnc2)c1; N(C(Cc1cccc(C)c1)=O)c2cc cnc2 |
2-(3-methylphenyl)-N-(pyridin-3-yl)acetamide |
| 26834 |  H55 CHEMBL4565975 |
1 | C10 H13 N9 O | InChI=1S/C10H13N9O/c1-19- 3-4(2-15-19)5-7(11)17-8(1 2)6(16-5)9(20)18-10(13)14 /h2-3H,1H3,(H4,11,12,17)( H4,13,14,18,20); MHKIPNGQRFWGIB-UHFFFAOYSA-N |
O=C(N/C(N)=N)c1c(N)nc(N)c(n1)c2cn(nc2)C; Cn1cc(cn1)c2nc(c(N)nc2N)C(=O)NC(N)=N; C n1cc(cn1)c2c(nc(c(n2)C(=O)NC(=N)N)N)N; [ H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnn(c2)C) N)N |
3,5-diamino-N-carbamimidoyl-6-(1-methyl-1H-pyrazol-4-yl)pyrazine-2-carboxamide |
| 26835 |  H56 CHEMBL1138 DB00973 ZINC000003810860 |
2 | C24 H21 F2 N O3 | InChI=1S/C24H21F2NO3/c25- 17-5-1-15(2-6-17)22(29)14 -13-21-23(16-3-11-20(28)1 2-4-16)27(24(21)30)19-9-7 -18(26)8-10-19/h1-12,21-2 3,28-29H,13-14H2/t21-,22+ ,23-/m1/s1; OLNTVTPDXPETLC-XPWALMASSA-N |
O[CH](CC[CH]1[CH](N(C1=O)c2ccc(F)cc2)c3c cc(O)cc3)c4ccc(F)cc4; c1cc(ccc1[C@@H]2[C @H](C(=O)N2c3ccc(cc3)F)CC[C@@H](c4ccc(cc 4)F)O)O; O[C@@H](CC[C@@H]1[C@H](N(C1=O)c 2ccc(F)cc2)c3ccc(O)cc3)c4ccc(F)cc4; c1cc (ccc1C2C(C(=O)N2c3ccc(cc3)F)CCC(c4ccc(cc 4)F)O)O |
(3~{R},4~{S})-1-(4-fluorophenyl)-3-[(3~{S})-3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-(4-hydroxyphenyl)azetidin-2-one |
| 26836 |  H57 |
4 | C18 H26 Fe N2 O2 | InChI=1S/C13H21N2O2.C5H5. Fe/c1-9-12(16)13(17)11(15 -9)6-7-14-8-10-4-2-3-5-10 ;1-2-4-5-3-1;/h2-5,9,11-1 7H,6-8H2,1H3;1-5H;/t9-,11 -,12+,13-;;/m0../s1; ZWSGRBUXVKPKCO-IMFJELSCSA-N |
[Fe](C1C=CC=C1)C2C=CC(=C2)CNCCC3NC(C(O)C 3O)C; C[CH]1N[CH](CCNCC2=C[CH]([Fe]C3C=C C=C3)C=C2)[CH](O)[CH]1O; CC1C(C(C(N1)CCN CC2=CC(C=C2)[Fe]C3C=CC=C3)O)O; C[C@@H]1N [C@@H](CCNCC2=C[C@H]([Fe]C3C=CC=C3)C=C2) [C@H](O)[C@@H]1O |
(3alpha)-[({2-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)methyl]ferrocene; (2S,3S,4R,5S)-2-[N-(methylferrocene)]aminoethyl-5-methylpyrrolidine-3,4-diol |
| 26837 |  H58 |
4 | C20 H30 Fe N2 O2 | InChI=1S/C15H25N2O2.C5H5. Fe/c1-11-14(18)15(19)13(1 7-11)8-10-16-9-4-7-12-5-2 -3-6-12;1-2-4-5-3-1;/h2-3 ,5-6,11,13-19H,4,7-10H2,1 H3;1-5H;/t11-,13-,14+,15- ;;/m0../s1; UONBANSHCODUCX-RDDIDZLJSA-N |
C[C@@H]1N[C@@H](CCNCCCC2=C[C@@H]([Fe]C3C =CC=C3)C=C2)[C@H](O)[C@@H]1O; CC1C(C(C(N 1)CCNCCCC2=CC(C=C2)[Fe]C3C=CC=C3)O)O; [F e](C1C=CC=C1)C2C=CC(=C2)CCCNCCC3NC(C(O)C 3O)C; C[CH]1N[CH](CCNCCCC2=C[CH]([Fe]C3C =CC=C3)C=C2)[CH](O)[CH]1O |
(3alpha)-[3-({2-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)propyl]ferrocene; (2S,3S,4R,5S)-2-[N-(propylferrocene)]aminoethyl-5-methylpyrrolidine-3,4-diol |
| 26838 |  H59 CHEMBL585383 ZINC000101294469 |
2 | C26 H30 F N3 O6 S2 | InChI=1S/C26H30FN3O6S2/c1 -6-26(3,4)24-23(31)22(25( 32)30(24)13-16-7-9-18(27) 15(2)11-16)20-14-38(35,36 )21-12-17(29-37(5,33)34)8 -10-19(21)28-20/h7-12,14, 24,28-29,31H,6,13H2,1-5H3 /t24-/m1/s1; FIWSMJXHIVIUAK-XMMPIXPASA-N |
CCC(C)(C)[C@@H]1N(Cc2ccc(F)c(C)c2)C(=O)C (=C1O)C3=C[S](=O)(=O)c4cc(N[S](C)(=O)=O) ccc4N3; CCC(C)(C)C1C(=C(C(=O)N1Cc2ccc(c( c2)C)F)C3=CS(=O)(=O)c4cc(ccc4N3)NS(=O)(= O)C)O; CCC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc (c(c2)C)F)C3=CS(=O)(=O)c4cc(ccc4N3)NS(=O )(=O)C)O; CCC(C)(C)[CH]1N(Cc2ccc(F)c(C)c 2)C(=O)C(=C1O)C3=C[S](=O)(=O)c4cc(N[S](C )(=O)=O)ccc4N3; Fc1ccc(cc1C)CN4C(=O)C(C= 3Nc2c(cc(cc2)NS(=O)(=O)C)S(=O)(=O)C=3)=C (O)C4C(C)(C)CC |
N-{3-[(5S)-5-(1,1-dimethylpropyl)-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide |
| 26839 |  H5A CHEMBL377172 ZINC000000347833 |
3 | C10 H12 O5 | InChI=1S/C10H12O5/c1-13-7 -4-6(10(11)12)5-8(14-2)9( 7)15-3/h4-5H,1-3H3,(H,11, 12); SJSOFNCYXJUNBT-UHFFFAOYSA-N |
COc1cc(cc(OC)c1OC)C(O)=O; COc1cc(cc(c1OC )OC)C(=O)O; c1(C(=O)O)cc(c(c(OC)c1)OC)OC |
3,4,5-trimethoxybenzoic acid |
| 26840 |  H5B ZINC000000235999 |
4 | C11 H7 Br O3 | InChI=1S/C11H7BrO3/c12-9- 5-8(11(14)15)10(13)7-4-2- 1-3-6(7)9/h1-5,13H,(H,14, 15); ORABWYPHDRBFAX-UHFFFAOYSA-N |
c1ccc2c(c1)c(cc(c2O)C(=O)O)Br; OC(=O)c1c c(Br)c2ccccc2c1O |
4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid |
| 26841 |  H5C |
2 | C11 H14 N4 O6 | InChI=1S/C11H14N4O6/c1-20 -7-6(17)4(2-16)21-10(7)15 -3-12-5-8(15)13-11(19)14- 9(5)18/h3-4,6-7,10,16-17H ,2H2,1H3,(H2,13,14,18,19) /t4-,6-,7-,10-/m1/s1; PASFATVSJBQETG-KQYNXXCUSA-N |
CO[C@@H]1[C@@H](C(O[C@H]1n2cnc3c2NC(=O)N C3=O)CO)O; CO[CH]1[CH](O)[CH](CO)O[CH]1n 2cnc3C(=O)NC(=O)Nc23; COC1C(C(OC1n2cnc3c 2NC(=O)NC3=O)CO)O; CO[C@@H]1[C@H](O)[C@@ H](CO)O[C@H]1n2cnc3C(=O)NC(=O)Nc23 |
9-[(2R,3R,4R)-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-3H-purine-2,6-dione |
| 26842 |  H5D |
1 | C20 H21 Cl N2 O2 | InChI=1S/C20H21ClN2O2/c1- 14(24)23-10-4-9-19(23)16- 6-2-5-15(11-16)12-20(25)2 2-18-8-3-7-17(21)13-18/h2 -3,5-8,11,13,19H,4,9-10,1 2H2,1H3,(H,22,25)/t19-/m0 /s1; VRSVKGOGNLDSRR-IBGZPJMESA-N |
N(c1cccc(c1)Cl)C(Cc3cc(C2CCCN2C(=O)C)ccc 3)=O; CC(=O)N1CCC[C@H]1c2cccc(CC(=O)Nc3c ccc(Cl)c3)c2; CC(=O)N1CCC[C@H]1c2cccc(c2 )CC(=O)Nc3cccc(c3)Cl; CC(=O)N1CCC[CH]1c2 cccc(CC(=O)Nc3cccc(Cl)c3)c2; CC(=O)N1CCC C1c2cccc(c2)CC(=O)Nc3cccc(c3)Cl |
2-{3-[(2S)-1-acetylpyrrolidin-2-yl]phenyl}-N-(3-chlorophenyl)acetamide |
| 26843 |  H5E ZINC000097045849 |
2 | C13 H17 N3 O2 S | InChI=1S/C13H17N3O2S/c1-1 2(2,3)8-7-19-9(14-8)6-16- 10(17)13(4-5-13)15-11(16) 18/h7H,4-6H2,1-3H3,(H,15, 18); CFOGTQXOCWUQMT-UHFFFAOYSA-N |
CC(C)(C)c1csc(n1)CN2C(=O)C3(CC3)NC2=O; C C(C)(C)c1csc(CN2C(=O)NC3(CC3)C2=O)n1 |
6-[(4-~{tert}-butyl-1,3-thiazol-2-yl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione |
| 26844 |  H5F CHEMBL1688963 ZINC000004082270 |
2 | C10 H13 N5 O5 | InChI=1S/C10H13N5O5/c11-7 -4-8(14-10(19)13-7)15(2-1 2-4)9-6(18)5(17)3(1-16)20 -9/h2-3,5-6,9,16-18H,1H2, (H3,11,13,14,19)/t3-,5-,6 -,9-/m1/s1; MIKUYHXYGGJMLM-UUOKFMHZSA-N |
C1=NC2=C(NC(=O)N=C2N1[C@H]3[C@@H]([C@@H] ([C@H](O3)CO)O)O)N; NC1=C2N=CN([CH]3O[CH ](CO)[CH](O)[CH]3O)C2=NC(=O)N1; NC1=C2N= CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2= NC(=O)N1; C1=NC2=C(NC(=O)N=C2N1C3C(C(C(O 3)CO)O)O)N |
6-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-purin-2-one |
| 26845 |  H5G |
1 | C14 H12 Cl N O2 | InChI=1S/C14H12ClNO2/c15- 11-4-2-5-12(9-11)16-14(18 )8-10-3-1-6-13(17)7-10/h1 -7,9,17H,8H2,(H,16,18); SGQPJUCTSXTRQV-UHFFFAOYSA-N |
N(C(Cc1cccc(O)c1)=O)c2cccc(c2)Cl; c1cc(c c(c1)O)CC(=O)Nc2cccc(c2)Cl; Oc1cccc(CC(= O)Nc2cccc(Cl)c2)c1 |
N-(3-chlorophenyl)-2-(3-hydroxyphenyl)acetamide |
| 26846 |  H5H |
1 | C22 H22 F4 N4 O4 S | InChI=1S/C22H22F4N4O4S/c1 -9-3-5-10(6-4-9)35-22-21( 33)19(20(32)12(8-31)34-22 )30-7-11(28-29-30)13-14(2 3)16(25)18(27-2)17(26)15( 13)24/h3-7,12,19-22,27,31 -33H,8H2,1-2H3/t12-,19+,2 0+,21-,22+/m1/s1; IVLMVDLBOITPES-ZQQHFERWSA-N |
CNc1c(F)c(F)c(c(F)c1F)c2cn(nn2)[CH]3[CH] (O)[CH](CO)O[CH](Sc4ccc(C)cc4)[CH]3O; Cc 1ccc(cc1)SC2C(C(C(C(O2)CO)O)n3cc(nn3)c4c (c(c(c(c4F)F)NC)F)F)O; CNc1c(F)c(F)c(c(F )c1F)c2cn(nn2)[C@H]3[C@@H](O)[C@@H](CO)O [C@@H](Sc4ccc(C)cc4)[C@@H]3O; Cc1ccc(cc1 )S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O )n3cc(nn3)c4c(c(c(c(c4F)F)NC)F)F)O |
(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-(methylamino)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol |
| 26847 |  H5I |
1 | C17 H18 F3 N7 O3 | InChI=1S/C17H18F3N7O3/c1- 9-8-30-16(28)27(9)12-6-11 (23-15(24-12)26-2-4-29-5- 3-26)10-7-22-14(21)25-13( 10)17(18,19)20/h6-7,9H,2- 5,8H2,1H3,(H2,21,22,25)/t 9-/m0/s1; FBOZVYXXWXOUOV-VIFPVBQESA-N |
C[C@H]1COC(=O)N1c2cc(nc(n2)N3CCOCC3)c4cn c(N)nc4C(F)(F)F; C[C@H]1COC(=O)N1c2cc(nc (n2)N3CCOCC3)c4cnc(nc4C(F)(F)F)N; C[CH]1 COC(=O)N1c2cc(nc(n2)N3CCOCC3)c4cnc(N)nc4 C(F)(F)F; CC1COC(=O)N1c2cc(nc(n2)N3CCOCC 3)c4cnc(nc4C(F)(F)F)N |
(4~{S})-3-[6-[2-azanyl-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one |
| 26848 |  H5J CHEMBL313378 ZINC000006094227 |
3 | C7 H4 N2 O3 | InChI=1S/C7H4N2O3/c10-9(1 1)6-1-2-7-5(3-6)4-8-12-7/ h1-4H; TWOYWCWKYDYTIP-UHFFFAOYSA-N |
O=[N](=O)c1ccc2oncc2c1; c1cc2c(cc1N(=O)= O)cno2; O=N(c2cc1cnoc1cc2)=O |
5-nitro-1,2-benzoxazole |
| 26849 |  H5K CHEMBL560813 ZINC000043074369 |
1 | C17 H11 N5 O3 | InChI=1S/C17H11N5O3/c18-7 -14-8-20-15(9-19-14)22-17 (25)21-13-4-3-10-5-12(16( 23)24)2-1-11(10)6-13/h1-6 ,8-9H,(H,23,24)(H2,20,21, 22,25); CACMTVGXYAZZNY-UHFFFAOYSA-N |
OC(=O)c1ccc2cc(NC(=O)Nc3cnc(cn3)C#N)ccc2 c1; O=C(Nc1ncc(nc1)C#N)Nc3cc2ccc(C(=O)O) cc2cc3; c1cc(cc2c1cc(cc2)NC(=O)Nc3cnc(cn 3)C#N)C(=O)O |
6-{[(5-cyanopyrazin-2-yl)carbamoyl]amino}naphthalene-2-carboxylic acid |
| 26850 |  H5L ZINC000096077672 |
1 | C30 H42 N7 O19 P3 S | InChI=1S/C30H42N7O19P3S/c 1-30(2,25(43)28(44)33-8-7 -20(40)32-9-10-60-21(41)6 -4-16-3-5-17(38)18(39)11- 16)13-53-59(50,51)56-58(4 8,49)52-12-19-24(55-57(45 ,46)47)23(42)29(54-19)37- 15-36-22-26(31)34-14-35-2 7(22)37/h3-6,11,14-15,19, 23-25,29,38-39,42-43H,7-1 0,12-13H2,1-2H3,(H,32,40) (H,33,44)(H,48,49)(H,50,5 1)(H2,31,34,35)(H2,45,46, 47)/b6-4+/t19-,23-,24-,25 +,29-/m1/s1; QHRGJMIMHCLHRG-ZSELIEHESA-N |
CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH ]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncn c23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)C=Cc4cc c(O)c(O)c4; CC(C)(COP(=O)(O)OP(=O)(O)OCC 1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C( C(=O)NCCC(=O)NCCSC(=O)C=Cc4ccc(c(c4)O)O) O; CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@ H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(= O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/ c4ccc(c(c4)O)O)O; CC(C)(CO[P](O)(=O)O[P] (O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P ](O)(O)=O)n2cnc3c(N)ncnc23)[C@@H](O)C(=O )NCCC(=O)NCCSC(=O)\C=C\c4ccc(O)c(O)c4 |
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enethioate; Caffeoyl-CoA |
| 26851 |  H5M |
0 | C6 H11 N O3 | InChI=1S/C6H11NO3/c1-3-2- 4(8)5(7-3)6(9)10/h3-5,7-8 H,2H2,1H3,(H,9,10)/t3-,4- ,5-/m0/s1; RVIGBNHLNBRMFX-YUPRTTJUSA-N |
O=C(O)C1NC(C)CC1O; C[C@H]1C[C@H](O)[C@H] (N1)C(O)=O; C[CH]1C[CH](O)[CH](N1)C(O)=O ; CC1CC(C(N1)C(=O)O)O; C[C@H]1C[C@@H]([C @H](N1)C(=O)O)O |
TRANS-3-HYDROXY-5-METHYLPROLINE |
| 26852 |  H5N |
1 | C21 H18 F4 N6 O4 S | InChI=1S/C21H18F4N6O4S/c1 -8-2-4-9(5-3-8)36-21-20(3 4)18(19(33)11(7-32)35-21) 31-6-10(27-30-31)12-13(22 )15(24)17(28-29-26)16(25) 14(12)23/h2-6,11,18-21,32 -34H,7H2,1H3/t11-,18+,19+ ,20-,21+/m1/s1; FIXMLRNYDRGIEZ-WZZIOWGKSA-N |
Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O )n3cc(nn3)c4c(F)c(F)c(N=[N+]=[N-])c(F)c4 F)cc1; Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C @H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F )F)N=[N+]=[N-])F)F)O; Cc1ccc(S[C@@H]2O[C @H](CO)[C@H](O)[C@@H]([C@H]2O)n3cc(nn3)c 4c(F)c(F)c(N=[N+]=[N-])c(F)c4F)cc1; Cc1c cc(cc1)SC2C(C(C(C(O2)CO)O)n3cc(nn3)c4c(c (c(c(c4F)F)N=[N+]=[N-])F)F)O |
(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[4-azido-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol |
| 26853 |  H5O CHEMBL5091613 |
3 | C26 H27 F3 N8 O6 S | InChI=1S/C26H27F3N8O6S/c1 -41-25-22(37-7-16(32-35-3 7)12-2-14(27)21(29)15(28) 3-12)24(40)19(8-38)43-26( 25)44-20-10-42-9-18(23(20 )39)36-6-17(33-34-36)13-4 -30-11-31-5-13/h2-7,11,18 -20,22-26,38-40H,8-10H2,1 H3/t18-,19+,20+,22-,23+,2 4-,25+,26-/m0/s1; XUWUKOCAMCFANQ-COQUQQDQSA-N |
CO[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1 n2cc(nn2)c3cc(F)c(F)c(F)c3)S[C@@H]4COC[C @@H]([C@H]4O)n5cc(nn5)c6cncnc6; CO[C@@H] 1[C@H]([C@H]([C@H](O[C@H]1S[C@@H]2COC[C@ @H]([C@H]2O)n3cc(nn3)c4cncnc4)CO)O)n5cc( nn5)c6cc(c(c(c6)F)F)F; CO[CH]1[CH](O[CH] (CO)[CH](O)[CH]1n2cc(nn2)c3cc(F)c(F)c(F) c3)S[CH]4COC[CH]([CH]4O)n5cc(nn5)c6cncnc 6; COC1C(C(C(OC1SC2COCC(C2O)n3cc(nn3)c4c ncnc4)CO)O)n5cc(nn5)c6cc(c(c(c6)F)F)F |
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-5-methoxy-6-[(3R,4R,5S)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol |
| 26854 |  H5P CHEMBL323799 DB02493 ZINC000013507911 |
2 | C7 H11 N2 O9 P | InChI=1S/C7H11N2O9P/c10-3 -2(1-17-19(14,15)16)18-7( 4(3)11)5(12)8-6(13)9-7/h2 -4,10-11H,1H2,(H2,14,15,1 6)(H2,8,9,12,13)/t2-,3-,4 -,7+/m1/s1; HVXIMXHBUJADCC-GTBMBKLPSA-N |
O[CH]1[CH](O)[C]2(NC(=O)NC2=O)O[CH]1CO[P ](O)(O)=O; C([C@@H]1[C@H]([C@H]([C@]2(O1 )C(=O)NC(=O)N2)O)O)OP(=O)(O)O; O[C@H]1[C @@H](O)[C@]2(NC(=O)NC2=O)O[C@@H]1CO[P](O )(O)=O; O=C2NC(=O)NC21OC(C(O)C1O)COP(=O) (O)O; C(C1C(C(C2(O1)C(=O)NC(=O)N2)O)O)OP (=O)(O)O |
HYDANTOCIDIN-5'-PHOSPHATE |
| 26855 |  H5Q |
1 | C21 H20 F4 N4 O4 S | InChI=1S/C21H20F4N4O4S/c1 -8-2-4-9(5-3-8)34-21-20(3 2)18(19(31)11(7-30)33-21) 29-6-10(27-28-29)12-13(22 )15(24)17(26)16(25)14(12) 23/h2-6,11,18-21,30-32H,7 ,26H2,1H3/t11-,18+,19+,20 -,21+/m1/s1; JCTFFZFGAUIBIH-WZZIOWGKSA-N |
Cc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]( [C@H]2O)n3cc(nn3)c4c(F)c(F)c(N)c(F)c4F)c c1; Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([C H]2O)n3cc(nn3)c4c(F)c(F)c(N)c(F)c4F)cc1; Cc1ccc(cc1)SC2C(C(C(C(O2)CO)O)n3cc(nn3) c4c(c(c(c(c4F)F)N)F)F)O; Cc1ccc(cc1)S[C@ H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc (nn3)c4c(c(c(c(c4F)F)N)F)F)O |
(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[4-azanyl-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol |
| 26856 |  H5R |
1 | C21 H24 N2 O2 S | InChI=1S/C21H24N2O2S/c1-2 4-15-3-5-19-17(11-15)21(2 6-13-14-7-9-22-10-8-14)18 -12-16(25-2)4-6-20(18)23- 19/h3-6,11-12,14,22H,7-10 ,13H2,1-2H3; KSMWPFBVZBOUFS-UHFFFAOYSA-N |
COc1ccc2nc3ccc(OC)cc3c(SCC4CCNCC4)c2c1; COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCC4CCNCC4 |
2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine |
| 26857 |  H5S ZINC000103544313 |
2 | C27 H30 F N3 O6 S2 | InChI=1S/C27H30FN3O6S2/c1 -15-12-16(6-9-20(15)28)13 -31-25(27(2,3)4)23(32)21( 26(31)33)22-18-8-7-17-10- 11-30(38(5,34)35)14-19(17 )24(18)39(36,37)29-22/h6- 9,12,25,32H,10-11,13-14H2 ,1-5H3/t25-/m1/s1; YRWZNTIWOPXYQZ-RUZDIDTESA-N |
Cc1cc(CN2[C@H](C(=C(C2=O)C3=N[S](=O)(=O) c4c5CN(CCc5ccc34)[S](C)(=O)=O)O)C(C)(C)C )ccc1F; Cc1cc(ccc1F)CN2C(C(=C(C2=O)C3=NS (=O)(=O)c4c3ccc5c4CN(CC5)S(=O)(=O)C)O)C( C)(C)C; Cc1cc(ccc1F)CN2[C@H](C(=C(C2=O)C 3=NS(=O)(=O)c4c3ccc5c4CN(CC5)S(=O)(=O)C) O)C(C)(C)C; Cc1cc(CN2[CH](C(=C(C2=O)C3=N [S](=O)(=O)c4c5CN(CCc5ccc34)[S](C)(=O)=O )O)C(C)(C)C)ccc1F; Fc1ccc(cc1C)CN5C(=O)C (C3=NS(=O)(=O)c2c4c(ccc23)CCN(C4)S(=O)(= O)C)=C(O)C5C(C)(C)C |
(5S)-5-tert-butyl-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-3-[8-(methylsulfonyl)-1,1-dioxido-6,7,8,9-tetrahydroisothiazolo[4,5-h]isoquinolin-3-yl]-1,5-dihydro-2H-pyrrol-2-one |
| 26858 |  H5T |
1 | C21 H19 F4 N3 O5 S | InChI=1S/C21H19F4N3O5S/c1 -8-2-4-9(5-3-8)34-21-20(3 2)17(18(30)11(7-29)33-21) 28-6-10(26-27-28)12-13(22 )15(24)19(31)16(25)14(12) 23/h2-6,11,17-18,20-21,29 -32H,7H2,1H3/t11-,17+,18+ ,20-,21+/m1/s1; YUHMRDWNRFZOAN-KKJIBFDYSA-N |
Cc1ccc(cc1)SC2C(C(C(C(O2)CO)O)n3cc(nn3)c 4c(c(c(c(c4F)F)O)F)F)O; Cc1ccc(S[C@@H]2O [C@H](CO)[C@H](O)[C@@H]([C@H]2O)n3cc(nn3 )c4c(F)c(F)c(O)c(F)c4F)cc1; Cc1ccc(cc1)S [C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n 3cc(nn3)c4c(c(c(c(c4F)F)O)F)F)O; Cc1ccc( S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(n n3)c4c(F)c(F)c(O)c(F)c4F)cc1 |
(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-oxidanyl-phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol |
| 26859 |  H5U CHEMBL578433 ZINC000101287986 |
2 | C24 H26 F N3 O6 S2 | InChI=1S/C24H26FN3O6S2/c1 -24(2,3)22-20(29)18(23(30 )28(22)13-14-8-10-16(25)1 1-9-14)19-17-7-5-6-15(12- 26-35(4,31)32)21(17)36(33 ,34)27-19/h5-11,22,26,29H ,12-13H2,1-4H3/t22-/m1/s1; ZMOVBEOGACXUBZ-JOCHJYFZSA-N |
Fc1ccc(cc1)CN4C(=O)C(C3=NS(=O)(=O)c2c(cc cc23)CNS(=O)(=O)C)=C(O)C4C(C)(C)C; CC(C) (C)C1C(=C(C(=O)N1Cc2ccc(cc2)F)C3=NS(=O)( =O)c4c3cccc4CNS(=O)(=O)C)O; CC(C)(C)[C@H ]1C(=C(C(=O)N1Cc2ccc(cc2)F)C3=NS(=O)(=O) c4c3cccc4CNS(=O)(=O)C)O; CC(C)(C)[CH]1N( Cc2ccc(F)cc2)C(=O)C(=C1O)C3=N[S](=O)(=O) c4c(CN[S](C)(=O)=O)cccc34; CC(C)(C)[C@@H ]1N(Cc2ccc(F)cc2)C(=O)C(=C1O)C3=N[S](=O) (=O)c4c(CN[S](C)(=O)=O)cccc34 |
N-({3-[(5S)-5-tert-butyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzisothiazol-7-yl}methyl)methanesulfonamide |
| 26860 |  H5V CHEMBL236207 ZINC000003988128 |
3 | C12 H16 N4 O4 | InChI=1S/C12H16N4O4/c1-12 (19)8(18)7(4-17)20-11(12) 16-3-2-6-9(13)14-5-15-10( 6)16/h2-3,5,7-8,11,17-19H ,4H2,1H3,(H2,13,14,15)/t7 -,8-,11-,12-/m1/s1; IRZRJANZDIOOIF-GAJNKVMBSA-N |
CC1(C(C(OC1n2ccc3c2ncnc3N)CO)O)O; OC1C(C (OC1CO)n3c2c(c(ncn2)N)cc3)(C)O; C[C@]1([ C@@H]([C@H](O[C@H]1n2ccc3c2ncnc3N)CO)O)O ; C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n2c cc3c(N)ncnc23; C[C]1(O)[CH](O)[CH](CO)O[ CH]1n2ccc3c(N)ncnc23 |
7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| 26861 |  H5W ZINC000095921088 |
2 | C21 H26 F N3 O | InChI=1S/C21H26FN3O/c1-15 -9-19(25-21(23)10-15)12-1 7-13-24-14-20(17)26-8-3-2 -5-16-6-4-7-18(22)11-16/h 2,4-7,9-11,17,20,24H,3,8, 12-14H2,1H3,(H2,23,25)/b5 -2+/t17-,20+/m1/s1; GKGVFZUGOXZFKN-YUOLOVIMSA-N |
Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCC/C=C/ c3cccc(c3)F; Fc1cccc(c1)/C=C/CCOC2C(CNC2 )Cc3nc(N)cc(c3)C; Cc1cc(N)nc(C[C@@H]2CNC [C@@H]2OCC\C=C\c3cccc(F)c3)c1; Cc1cc(nc( c1)N)CC2CNCC2OCCC=Cc3cccc(c3)F; Cc1cc(N) nc(C[CH]2CNC[CH]2OCCC=Cc3cccc(F)c3)c1 |
6-{[(3R,4R)-4-{[(3E)-4-(3-fluorophenyl)but-3-en-1-yl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine |
| 26862 |  H5X |
2 | C19 H19 N O7 S2 | InChI=1S/C19H19NO7S2/c1-2 7-19(21)17-10-9-14(13-5-2 -3-6-13)11-18(17)20-28(22 ,23)15-7-4-8-16(12-15)29( 24,25)26/h4-5,7-12,20H,2- 3,6H2,1H3,(H,24,25,26); XFEVBBHNMZRLKU-UHFFFAOYSA-N |
COC(=O)c1ccc(cc1N[S](=O)(=O)c2cccc(c2)[S ](O)(=O)=O)C3=CCCC3; COC(=O)c1ccc(cc1NS( =O)(=O)c2cccc(c2)S(=O)(=O)O)C3=CCCC3 |
3-[[5-(cyclopenten-1-yl)-2-methoxycarbonyl-phenyl]sulfamoyl]benzenesulfonic acid |
| 26863 |  H5Y |
1 | C23 H27 N5 O4 | InChI=1S/C23H27N5O4/c1-5- 27(13-12-26(2)3)22(29)19- 15-25-28(20-14-17(23(30)3 1)10-11-24-20)21(19)16-6- 8-18(32-4)9-7-16/h6-11,14 -15H,5,12-13H2,1-4H3,(H,3 0,31); ICCHWGKLRKRQKD-UHFFFAOYSA-N |
CCN(CCN(C)C)C(=O)c1cnn(c2cc(ccn2)C(O)=O) c1c3ccc(OC)cc3; c3(OC)ccc(c1c(cnn1c2cc(C (=O)O)ccn2)C(=O)N(CCN(C)C)CC)cc3; CCN(CC N(C)C)C(=O)c1cnn(c1c2ccc(cc2)OC)c3cc(ccn 3)C(=O)O |
2-[4-{[2-(dimethylamino)ethyl](ethyl)carbamoyl}-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid |
| 26864 |  H5Z |
1 | C21 H18 F5 N3 O4 S | InChI=1S/C21H18F5N3O4S/c1 -8-2-4-9(5-3-8)34-21-20(3 2)18(19(31)11(7-30)33-21) 29-6-10(27-28-29)12-13(22 )15(24)17(26)16(25)14(12) 23/h2-6,11,18-21,30-32H,7 H2,1H3/t11-,18+,19+,20-,2 1+/m1/s1; ZXTKEPHLSBIIAZ-WZZIOWGKSA-N |
Cc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]( [C@H]2O)n3cc(nn3)c4c(F)c(F)c(F)c(F)c4F)c c1; Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H] ([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F) F)F)F)O; Cc1ccc(S[CH]2O[CH](CO)[CH](O)[C H]([CH]2O)n3cc(nn3)c4c(F)c(F)c(F)c(F)c4F )cc1; Cc1ccc(cc1)SC2C(C(C(C(O2)CO)O)n3cc (nn3)c4c(c(c(c(c4F)F)F)F)F)O |
(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol |
| 26865 |  H60 CHEMBL5207566 |
1 | C23 H31 N3 O4 | InChI=1S/C23H31N3O4/c1-2- 3-11-20(26-21(28)13-12-17 -8-5-4-6-9-17)23(30)25-19 (16-27)15-18-10-7-14-24-2 2(18)29/h4-6,8-9,12-13,16 ,18-20H,2-3,7,10-11,14-15 H2,1H3,(H,24,29)(H,25,30) (H,26,28)/b13-12+/t18-,19 -,20-/m0/s1; MBIWELOVLSUPFE-GITLDSMSSA-N |
CCCCC(C(=O)NC(CC1CCCNC1=O)C=O)NC(=O)C=Cc 2ccccc2; CCCC[CH](NC(=O)C=Cc1ccccc1)C(=O )N[CH](C[CH]2CCCNC2=O)C=O; CCCC[C@H](NC( =O)/C=C/c1ccccc1)C(=O)N[C@@H](C[C@@H]2CC CNC2=O)C=O; CCCC[C@@H](C(=O)N[C@@H](C[C@ @H]1CCCNC1=O)C=O)NC(=O)/C=C/c2ccccc2 |
(2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide |
| 26866 |  H61 |
1 | C22 H22 N4 O2 S | InChI=1S/C22H22N4O2S/c27- 22(28)15-8-9-23-17-14-19( 29-20(15)17)21-24-16-6-2- 3-7-18(16)26(21)13-12-25- 10-4-1-5-11-25/h2-3,6-9,1 4H,1,4-5,10-13H2,(H,27,28 ); FUHPYFIFOFNOHS-UHFFFAOYSA-N |
OC(=O)c1ccnc2cc(sc12)c3nc4ccccc4n3CCN5CC CCC5; c1ccc2c(c1)nc(n2CCN3CCCCC3)c4cc5c( s4)c(ccn5)C(=O)O; C(=O)(O)c2c1sc(cc1ncc2 )c4nc3ccccc3n4CCN5CCCCC5 |
2-{1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid |
| 26867 |  H62 |
2 | C7 H13 N O5 | InChI=1S/C7H13NO5/c8-2-1- 3(9)5(10)6(11)4(2)7(12)13 /h2-6,9-11H,1,8H2,(H,12,1 3)/t2-,3-,4+,5+,6+/m0/s1; DNFVBIRHFDBCAW-HGVZOGFYSA-N |
N[CH]1C[CH](O)[CH](O)[CH](O)[CH]1C(O)=O; C1C(C(C(C(C1O)O)O)C(=O)O)N; N[C@H]1C[C@ H](O)[C@@H](O)[C@H](O)[C@@H]1C(O)=O; C1[ C@@H]([C@H]([C@H]([C@@H]([C@H]1O)O)O)C(= O)O)N |
(1~{R},2~{R},3~{R},4~{S},6~{S})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexane-1-carboxylic acid |
| 26868 |  H63 CHEMBL5200040 |
2 | C22 H29 N3 O4 | InChI=1S/C22H29N3O4/c1-2- 3-9-19(25-20(27)11-10-16- 7-5-4-6-8-16)22(29)24-18( 15-26)14-17-12-13-23-21(1 7)28/h4-8,10-11,15,17-19H ,2-3,9,12-14H2,1H3,(H,23, 28)(H,24,29)(H,25,27)/b11 -10+/t17-,18-,19-/m0/s1; GJOOPPJNXSQMMK-BMBPZZTMSA-N |
CCCC[C@H](NC(=O)\C=C\c1ccccc1)C(=O)N[C@@ H](C[C@@H]2CCNC2=O)C=O; CCCCC(C(=O)NC(CC 1CCNC1=O)C=O)NC(=O)C=Cc2ccccc2; CCCC[CH] (NC(=O)C=Cc1ccccc1)C(=O)N[CH](C[CH]2CCNC 2=O)C=O; CCCC[C@@H](C(=O)N[C@@H](C[C@@H] 1CCNC1=O)C=O)NC(=O)/C=C/c2ccccc2 |
(2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide |
| 26869 |  H64 CHEMBL383189 DB07877 ZINC000013679215 |
2 | C18 H21 Br N6 O2 S | InChI=1S/C18H21BrN6O2S/c1 -10(2)21-4-3-5-25-17-15(1 6(20)22-8-23-17)24-18(25) 28-14-7-13-12(6-11(14)19) 26-9-27-13/h6-8,10,21H,3- 5,9H2,1-2H3,(H2,20,22,23); MWGWLDJLENCVRQ-UHFFFAOYSA-N |
Brc3c(Sc1nc2c(ncnc2n1CCCNC(C)C)N)cc4OCOc 4c3; CC(C)NCCCn1c(Sc2cc3OCOc3cc2Br)nc4c( N)ncnc14; CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3 cc4c(cc3Br)OCO4 |
8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE |
| 26870 |  H65 CHEMBL3819551 ZINC000584905610 |
4 | C19 H26 N4 | InChI=1S/C19H26N4/c1-14-9 -18(22-19(20)10-14)4-3-15 -11-17(13-21-12-15)16-5-7 -23(2)8-6-16/h9-13,16H,3- 8H2,1-2H3,(H2,20,22); UTFTUBTWHNJKBO-UHFFFAOYSA-N |
Cc1cc(nc(c1)N)CCc2cc(cnc2)C3CCN(CC3)C; C N1CCC(CC1)c2cncc(CCc3cc(C)cc(N)n3)c2 |
4-methyl-6-(2-(5-(1-methylpiperidin-4-yl)pyridin-3-yl)ethyl)pyridin-2-amine |
| 26871 |  H66 |
1 | C21 H31 N5 O S2 | InChI=1S/C21H31N5OS2/c1-2 -14-6-7-15-16(12-14)29-20 -18(15)19(22)24-21(25-20) 28-13-17(27)23-8-11-26-9- 4-3-5-10-26/h14H,2-13H2,1 H3,(H,23,27)(H2,22,24,25) /t14-/m0/s1; CUJZAMRWOQMHTO-AWEZNQCLSA-N |
CCC1CCc2c(sc3c2c(nc(n3)SCC(=O)NCCN4CCCCC 4)N)C1; CC[CH]1CCc2c(C1)sc3nc(SCC(=O)NCC N4CCCCC4)nc(N)c23; CC[C@H]1CCc2c(C1)sc3n c(SCC(=O)NCCN4CCCCC4)nc(N)c23; Nc2nc(SCC (NCCN1CCCCC1)=O)nc4c2c3CCC(Cc3s4)CC; CC[ C@H]1CCc2c(sc3c2c(nc(n3)SCC(=O)NCCN4CCCC C4)N)C1 |
2-{[(7S)-4-amino-7-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[2-(piperidin-1-yl)ethyl]acetamide |
| 26872 |  H67 |
1 | C30 H32 N4 O3 | InChI=1S/C30H32N4O3/c1-22 (37-18-17-33-15-6-3-7-16- 33)27-21-32-34(28-20-26(3 0(35)36)13-14-31-28)29(27 )25-12-8-11-24(19-25)23-9 -4-2-5-10-23/h2,4-5,8-14, 19-22H,3,6-7,15-18H2,1H3, (H,35,36)/t22-/m0/s1; LYCMOOQJGJJWEY-QFIPXVFZSA-N |
CC(c1cnn(c1c2cccc(c2)c3ccccc3)c4cc(ccn4) C(=O)O)OCCN5CCCCC5; C[C@H](OCCN1CCCCC1)c 2cnn(c3cc(ccn3)C(O)=O)c2c4cccc(c4)c5cccc c5; C[CH](OCCN1CCCCC1)c2cnn(c3cc(ccn3)C( O)=O)c2c4cccc(c4)c5ccccc5; c4c(c(c2cc(c1 ccccc1)ccc2)n(c3cc(C(=O)O)ccn3)n4)C(C)OC CN5CCCCC5; C[C@@H](c1cnn(c1c2cccc(c2)c3c cccc3)c4cc(ccn4)C(=O)O)OCCN5CCCCC5 |
2-[5-([1,1'-biphenyl]-3-yl)-4-{(1S)-1-[2-(piperidin-1-yl)ethoxy]ethyl}-1H-pyrazol-1-yl]pyridine-4-carboxylic acid |
| 26873 |  H68 CHEMBL2334891 ZINC000030725153 |
2 | C20 H23 N O4 | InChI=1S/C20H23NO4/c1-23- 18-5-4-12-8-16-14-10-17(2 2)19(24-2)9-13(14)6-7-21( 16)11-15(12)20(18)25-3/h4 -5,9-10,16,22H,6-8,11H2,1 -3H3/t16-/m0/s1; KDFKJOFJHSVROC-INIZCTEOSA-N |
COc1ccc2c(c1OC)CN3CCc4cc(c(cc4[C@@H]3C2) O)OC; COc1ccc2c(c1OC)CN3CCc4cc(c(cc4C3C2 )O)OC; COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc (OC)c4OC; COc1cc2CCN3Cc4c(C[CH]3c2cc1O)c cc(OC)c4OC |
Tetrahydrocolumbamine |
| 26874 |  H69 CHEMBL5078993 |
1 | C16 H15 Cl2 N3 O3 | InChI=1S/C16H15Cl2N3O3/c1 7-11-2-1-10(7-12(11)18)9- 3-5-21(6-4-9)15(23)13-8-1 4(22)20-16(24)19-13/h1-2, 7-9H,3-6H2,(H2,19,20,22,2 4); BOEMYMIXDCTGER-UHFFFAOYSA-N |
c1cc(c(cc1C2CCN(CC2)C(=O)C3=CC(=O)NC(=O) N3)Cl)Cl; Clc1ccc(cc1Cl)C2CCN(CC2)C(=O)C 3=CC(=O)NC(=O)N3; O=C(C1=CC(=O)NC(=O)N1) N1CCC(CC1)c1ccc(Cl)c(Cl)c1 |
6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione |
| 26875 |  H6A |
1 | C29 H30 N4 O3 | InChI=1S/C29H30N4O3/c34-2 9(35)24-14-15-30-26(20-24 )33-27(22-10-4-1-5-11-22) 25(21-31-33)28(23-12-6-2- 7-13-23)36-19-18-32-16-8- 3-9-17-32/h1-2,4-7,10-15, 20-21,28H,3,8-9,16-19H2,( H,34,35)/t28-/m1/s1; HAJRSCRWEDXEKU-MUUNZHRXSA-N |
OC(=O)c1ccnc(c1)n2ncc([CH](OCCN3CCCCC3)c 4ccccc4)c2c5ccccc5; OC(=O)c1ccnc(c1)n2nc c([C@H](OCCN3CCCCC3)c4ccccc4)c2c5ccccc5; C(=O)(O)c1ccnc(c1)n3c(c2ccccc2)c(cn3)C( c4ccccc4)OCCN5CCCCC5; c1ccc(cc1)c2c(cnn2 c3cc(ccn3)C(=O)O)C(c4ccccc4)OCCN5CCCCC5; c1ccc(cc1)c2c(cnn2c3cc(ccn3)C(=O)O)[C@@ H](c4ccccc4)OCCN5CCCCC5 |
2-(5-phenyl-4-{(R)-phenyl[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrazol-1-yl)pyridine-4-carboxylic acid |
| 26876 |  H6B |
2 | C8 H13 N O5 | InChI=1S/C8H13NO5/c1-9-3- 2(8(13)14)5(10)7(12)6(11) 4(3)9/h2-7,10-12H,1H3,(H, 13,14)/t2-,3-,4-,5-,6+,7+ ,9+/m1/s1; UUIBNQLYUYNUOZ-FKAYCGLJSA-N |
CN1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@@ H]2C(=O)O)O)O)O; CN1C2C1C(C(C(C2C(=O)O)O )O)O; CN1[C@H]2[C@H](O)[C@@H](O)[C@H](O) [C@@H]([C@@H]12)C(O)=O; CN1[CH]2[CH](O)[ CH](O)[CH](O)[CH]([CH]12)C(O)=O |
(1~{R},2~{R},3~{R},4~{S},5~{S},6~{R})-7-methyl-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid |
| 26877 |  H6D |
2 | C14 H9 F3 N2 O3 S | InChI=1S/C14H9F3N2O3S/c1- 23(21)12-6-11(19-13(20)10 (12)7-18)8-3-2-4-9(5-8)22 -14(15,16)17/h2-6H,1H3,(H ,19,20)/t23-/m1/s1; LDLFTWUQLJNHAW-HSZRJFAPSA-N |
C[S@@](=O)C1=C(C(=O)NC(=C1)c2cccc(c2)OC( F)(F)F)C#N; N#CC2=C(C=C(c1cccc(OC(F)(F)F )c1)NC2=O)S(=O)C; C[S](=O)C1=C(C#N)C(=O) NC(=C1)c2cccc(OC(F)(F)F)c2; C[S@@](=O)C1 =C(C#N)C(=O)NC(=C1)c2cccc(OC(F)(F)F)c2; CS(=O)C1=C(C(=O)NC(=C1)c2cccc(c2)OC(F)(F )F)C#N |
4-[(R)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile |
| 26878 |  H6E ZINC000097166197 |
2 | C15 H27 N O3 S | InChI=1S/C15H27NO3S/c17-2 0(18,12-14-5-4-10-19-11-1 4)16-9-8-15(13-16)6-2-1-3 -7-15/h14H,1-13H2/t14-/m1 /s1; IRCQTRJXJMLOAH-CQSZACIVSA-N |
O=[S](=O)(C[CH]1CCCOC1)N2CCC3(CCCCC3)C2; O=[S](=O)(C[C@@H]1CCCOC1)N2CCC3(CCCCC3) C2; C1CCC2(CC1)CCN(C2)S(=O)(=O)CC3CCCOC3 ; C1CCC2(CC1)CCN(C2)S(=O)(=O)C[C@@H]3CCC OC3 |
2-[[(3~{R})-oxan-3-yl]methylsulfonyl]-2-azaspiro[4.5]decane |
| 26879 |  H6F CHEMBL5203574 |
1 | C30 H40 N4 O5 | InChI=1S/C30H40N4O5/c1-18 (2)14-25(29(38)32-24(17-3 5)16-22-10-7-13-31-27(22) 36)33-30(39)26(19(3)4)34- 28(37)23-12-11-20-8-5-6-9 -21(20)15-23/h5-6,8-9,11- 12,15,17-19,22,24-26H,7,1 0,13-14,16H2,1-4H3,(H,31, 36)(H,32,38)(H,33,39)(H,3 4,37)/t22-,24-,25-,26-/m0 /s1; VUMQTHGFOAZOLH-GKXKVECMSA-N |
CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1 =O)C=O)NC(=O)[C@H](C(C)C)NC(=O)c2ccc3ccc cc3c2; CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1 ccc2ccccc2c1)C(C)C)C(=O)N[C@@H](C[C@@H]3 CCCNC3=O)C=O; CC(C)CC(C(=O)NC(CC1CCCNC1= O)C=O)NC(=O)C(C(C)C)NC(=O)c2ccc3ccccc3c2 ; CC(C)C[CH](NC(=O)[CH](NC(=O)c1ccc2cccc c2c1)C(C)C)C(=O)N[CH](C[CH]3CCCNC3=O)C=O |
~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]naphthalene-2-carboxamide |
| 26880 |  H6G CHEMBL4283844 |
1 | C20 H24 N6 O3 | InChI=1S/C20H24N6O3/c1-2- 18(27)26-11-5-10-25(12-13 -26)17-14-16(22-9-7-19(28 )29)23-20(24-17)15-6-3-4- 8-21-15/h2-4,6,8,14H,1,5, 7,9-13H2,(H,28,29)(H,22,2 3,24); GQZPLTPYSQYTFB-UHFFFAOYSA-N |
C=CC(=O)N1CCCN(CC1)c2cc(nc(n2)c3ccccn3)N CCC(=O)O; C1CCN(CCN1C(=O)/C=C)c2cc(NCCC( =O)O)nc(n2)c3ccccn3; OC(=O)CCNc1cc(nc(n1 )c2ccccn2)N3CCCN(CC3)C(=O)C=C |
N-[6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-beta-alanine |
| 26881 |  H6H |
1 | C30 H39 N9 O3 | InChI=1S/C30H39N9O3/c1-37 (2)27-23-18-24(29(42)38(1 9-26(33)41)15-6-5-13-31)3 9(16-12-25(32)40)28(23)36 -30(35-27)34-14-11-20-9-1 0-21-7-3-4-8-22(21)17-20/ h3-4,7-10,17-18H,5-6,11-1 6,19,31H2,1-2H3,(H2,32,40 )(H2,33,41)(H,34,35,36); WDNXQKSPKHPWGU-UHFFFAOYSA-N |
CN(C)c1c2cc(n(c2nc(n1)NCCc3ccc4ccccc4c3) CCC(=O)N)C(=O)N(CCCCN)CC(=O)N; CN(C)c1nc (NCCc2ccc3ccccc3c2)nc4n(CCC(N)=O)c(cc14) C(=O)N(CCCCN)CC(N)=O |
~{N}-(4-azanylbutyl)-~{N}-(2-azanyl-2-oxidanylidene-ethyl)-7-(3-azanyl-3-oxidanylidene-propyl)-4-(dimethylamino)-2-(2-naphthalen-2-ylethylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide |
| 26882 |  H6I |
2 | C18 H17 N O7 S2 | InChI=1S/C18H17NO7S2/c20- 18(21)16-9-8-13(12-4-1-2- 5-12)10-17(16)19-27(22,23 )14-6-3-7-15(11-14)28(24, 25)26/h3-4,6-11,19H,1-2,5 H2,(H,20,21)(H,24,25,26); RWEPOFSCKPELAA-UHFFFAOYSA-N |
c1cc(cc(c1)S(=O)(=O)O)S(=O)(=O)Nc2cc(ccc 2C(=O)O)C3=CCCC3; OC(=O)c1ccc(cc1N[S](=O )(=O)c2cccc(c2)[S](O)(=O)=O)C3=CCCC3 |
4-(cyclopenten-1-yl)-2-[(3-sulfophenyl)sulfonylamino]benzoic acid |
| 26883 |  H6J CHEMBL4294426 |
1 | C19 H24 N6 O4 S | InChI=1S/C19H24N6O4S/c1-2 -30(28,29)25-11-5-10-24(1 2-13-25)17-14-16(21-9-7-1 8(26)27)22-19(23-17)15-6- 3-4-8-20-15/h2-4,6,8,14H, 1,5,7,9-13H2,(H,26,27)(H, 21,22,23); CPNWZGJHUIZVEZ-UHFFFAOYSA-N |
C=CS(=O)(=O)N1CCCN(CC1)c2cc(nc(n2)c3cccc n3)NCCC(=O)O; OC(=O)CCNc1cc(nc(n1)c2cccc n2)N3CCCN(CC3)[S](=O)(=O)C=C; C1CCN(CCN1 S([C@H]=C)(=O)=O)c3cc(NCCC(=O)O)nc(c2ccc cn2)n3 |
N-{6-[4-(ethenylsulfonyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine |
| 26884 |  H6K ZINC000071788698 |
1 | C15 H11 N7 O | InChI=1S/C15H11N7O/c16-7- 11-8-18-14(9-17-11)20-15( 23)19-13-6-12(21-22-13)10 -4-2-1-3-5-10/h1-6,8-9H,( H3,18,19,20,21,22,23); CUGADHZZTWSNMF-UHFFFAOYSA-N |
O=C(Nc1cc([nH]n1)c2ccccc2)Nc3cnc(cn3)C#N ; c1ccc(cc1)c2cc(n[nH]2)NC(=O)Nc3cnc(cn3 )C#N; O=C(Nc2nnc(c1ccccc1)c2)Nc3ncc(C#N) nc3 |
1-(5-cyanopyrazin-2-yl)-3-(5-phenyl-1H-pyrazol-3-yl)urea |
| 26885 |  H6L CHEMBL5205787 |
2 | C26 H37 N5 O7 | InChI=1S/C26H37N5O7/c1-15 (2)12-21(25(35)28-19(14-3 2)13-18-6-5-11-27-23(18)3 3)29-26(36)22(16(3)4)30-2 4(34)17-7-9-20(10-8-17)31 (37)38/h7-10,14-16,18-19, 21-22H,5-6,11-13H2,1-4H3, (H,27,33)(H,28,35)(H,29,3 6)(H,30,34)/t18-,19-,21-, 22-/m0/s1; UUOJCIYWLMPKQE-LGGPRVQUSA-N |
CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1 =O)C=O)NC(=O)[C@H](C(C)C)NC(=O)c2ccc(cc2 )[N+](=O)[O-]; CC(C)CC(C(=O)NC(CC1CCCNC1 =O)C=O)NC(=O)C(C(C)C)NC(=O)c2ccc(cc2)[N+ ](=O)[O-]; CC(C)C[CH](NC(=O)[CH](NC(=O)c 1ccc(cc1)[N+]([O-])=O)C(C)C)C(=O)N[CH](C [CH]2CCCNC2=O)C=O; CC(C)C[C@H](NC(=O)[C@ @H](NC(=O)c1ccc(cc1)[N+]([O-])=O)C(C)C)C (=O)N[C@@H](C[C@@H]2CCCNC2=O)C=O |
~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide |
| 26886 |  H6M |
1 | C19 H24 N6 O4 | InChI=1S/C19H24N6O4/c26-1 3-17(27)25-9-3-8-24(10-11 -25)16-12-15(21-7-5-18(28 )29)22-19(23-16)14-4-1-2- 6-20-14/h1-2,4,6,12,26H,3 ,5,7-11,13H2,(H,28,29)(H, 21,22,23); BFXYLSMGFITUJF-UHFFFAOYSA-N |
OCC(=O)N1CCCN(CC1)c2cc(NCCC(O)=O)nc(n2)c 3ccccn3; C(=O)(O)CCNc2cc(N1CCCN(C(=O)CO) CC1)nc(n2)c3ccccn3; c1ccnc(c1)c2nc(cc(n2 )N3CCCN(CC3)C(=O)CO)NCCC(=O)O |
N-{6-[4-(hydroxyacetyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine; hydrolysis product of 3-((6-(4-(2-cyano-3-methylbut-2-enoyl)-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid |
| 26887 |  H6N CHEMBL222021 DB11268 ZINC000000013245 |
12 | C7 H6 O3 | InChI=1S/C7H6O3/c8-4-5-1- 2-6(9)7(10)3-5/h1-4,9-10H; IBGBGRVKPALMCQ-UHFFFAOYSA-N |
c1cc(c(cc1C=O)O)O; Oc1ccc(C=O)cc1O | Protocatechuic aldehyde |
| 26888 |  H6O |
1 | C19 H28 N4 O4 | InChI=1S/C19H28N4O4/c1-2- 15-17(18(20)23-19(21)22-1 5)27-11-5-10-26-16-7-4-3- 6-13(16)8-9-14(25)12-24/h 3-4,6-7,14,24-25H,2,5,8-1 2H2,1H3,(H4,20,21,22,23)/ t14-/m0/s1; OLZJTRCFEVMRFD-AWEZNQCLSA-N |
CCc1nc(N)nc(N)c1OCCCOc2ccccc2CC[C@H](O)C O; CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CC[C@@ H](CO)O; CCc1nc(N)nc(N)c1OCCCOc2ccccc2CC [CH](O)CO; CCc1nc(N)nc(N)c1OCCCOc1ccccc1 CCC(O)CO; CCc1c(c(nc(n1)N)N)OCCCOc2ccccc 2CCC(CO)O |
(2S)-4-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)butane-1,2-diol |
| 26889 |  H6P CHEMBL145233 ZINC000008436838 |
51 | C5 H12 O8 P2 | InChI=1S/C5H12O8P2/c1-5(4 -6)2-3-12-15(10,11)13-14( 7,8)9/h2,6H,3-4H2,1H3,(H, 10,11)(H2,7,8,9)/b5-2+; MDSIZRKJVDMQOQ-GORDUTHDSA-N |
CC(=CCOP(=O)(O)OP(=O)(O)O)CO; O=P(O)(O)O P(=O)(OC\C=C(/C)CO)O; CC(CO)=CCO[P](O)(= O)O[P](O)(O)=O; C/C(=C\CO[P@@](=O)(O)OP( =O)(O)O)/CO; C\C(CO)=C/CO[P](O)(=O)O[P]( O)(O)=O |
(2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate |
| 26890 |  H6Q |
1 | C9 H19 O11 P | InChI=1S/C9H19O11P/c1-3(8 (13)14)19-21(16,17)20-7-6 (12)5(11)4(2-10)18-9(7)15 /h3-15H,2H2,1H3,(H,16,17) /t3-,4+,5+,6-,7+,9+/m0/s1; SILWFZFNYLTARD-AVLLYLPDSA-N |
C[C@@H](C(O)O)OP(=O)(O)O[C@@H]1[C@H]([C@ @H]([C@H](O[C@H]1O)CO)O)O; CC(C(O)O)OP(= O)(O)OC1C(C(C(OC1O)CO)O)O; C[CH](O[P](O) (=O)O[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O) C(O)O; C[C@H](O[P](O)(=O)O[C@H]1[C@H](O) O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)O |
2-O-[(R)-{[(2S)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-beta-D-glucopyranose; [(2~{S})-1,1-bis(oxidanyl)propan-2-yl] [(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate; 2-O-[(R)-{[(2S)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-beta-D-glucose; 2-O-[(R)-{[(2S)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-D-glucose; 2-O-[(R)-{[(2S)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-glucose |
| 26891 |  H6R CHEMBL5180964 |
1 | C21 H23 N3 O4 | InChI=1S/C21H23N3O4/c1-2- 6-18(24-19(26)10-9-15-7-4 -3-5-8-15)21(28)23-17(14- 25)13-16-11-12-22-20(16)2 7/h1,3-5,7-10,14,16-18H,6 ,11-13H2,(H,22,27)(H,23,2 8)(H,24,26)/b10-9+/t16-,1 7-,18-/m0/s1; QZMKOYAKHMOPIL-GIGACSBGSA-N |
C#CC[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O) C=O)NC(=O)/C=C/c2ccccc2; O=C[CH](C[CH]1C CNC1=O)NC(=O)[CH](CC#C)NC(=O)C=Cc2ccccc2 ; C#CCC(C(=O)NC(CC1CCNC1=O)C=O)NC(=O)C=C c2ccccc2; O=C[C@H](C[C@@H]1CCNC1=O)NC(=O )[C@H](CC#C)NC(=O)/C=C/c2ccccc2 |
(2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pent-4-ynamide |
| 26892 |  H6S |
1 | C22 H23 Cl N2 O3 S | InChI=1S/C22H23ClN2O3S/c1 -25-11-4-5-14(25)9-12-28- 20(15-6-2-3-7-17(15)23)19 -13-18-21(29-19)16(22(26) 27)8-10-24-18/h2-3,6-8,10 ,13-14,20H,4-5,9,11-12H2, 1H3,(H,26,27)/t14-,20+/m0 /s1; CKHGFLIUOABPPV-VBKZILBWSA-N |
CN1CCC[CH]1CCO[CH](c2sc3c(c2)nccc3C(O)=O )c4ccccc4Cl; c1(ccccc1C(OCCC2CCCN2C)c3sc 4c(c3)nccc4C(=O)O)Cl; CN1CCC[C@H]1CCO[C@ H](c2ccccc2Cl)c3cc4c(s3)c(ccn4)C(=O)O; C N1CCC[C@H]1CCO[C@@H](c2sc3c(c2)nccc3C(O) =O)c4ccccc4Cl; CN1CCCC1CCOC(c2ccccc2Cl)c 3cc4c(s3)c(ccn4)C(=O)O |
2-[(R)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid |
| 26893 |  H6T |
1 | C22 H23 Cl N2 O3 S | InChI=1S/C22H23ClN2O3S/c1 -25-11-4-5-14(25)9-12-28- 20(15-6-2-3-7-17(15)23)19 -13-18-21(29-19)16(22(26) 27)8-10-24-18/h2-3,6-8,10 ,13-14,20H,4-5,9,11-12H2, 1H3,(H,26,27)/t14-,20-/m0 /s1; CKHGFLIUOABPPV-XOBRGWDASA-N |
CN1CCC[CH]1CCO[CH](c2sc3c(c2)nccc3C(O)=O )c4ccccc4Cl; CN1CCC[C@H]1CCO[C@@H](c2ccc cc2Cl)c3cc4c(s3)c(ccn4)C(=O)O; CN1CCC[C@ H]1CCO[C@H](c2sc3c(c2)nccc3C(O)=O)c4cccc c4Cl; c1(c(cccc1)C(c2sc3c(c2)nccc3C(=O)O )OCCC4CCCN4C)Cl; CN1CCCC1CCOC(c2ccccc2Cl )c3cc4c(s3)c(ccn4)C(=O)O |
2-[(S)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid |
| 26894 |  H6U CHEMBL2095212 DB08893 ZINC000001996784 |
1 | C21 H24 N4 O2 S | InChI=1S/C21H24N4O2S/c22- 21-25-18(14-28-21)12-20(2 7)24-17-8-6-15(7-9-17)10- 11-23-13-19(26)16-4-2-1-3 -5-16/h1-9,14,19,23,26H,1 0-13H2,(H2,22,25)(H,24,27 )/t19-/m0/s1; PBAPPPCECJKMCM-IBGZPJMESA-N |
c1ccc(cc1)[C@H](CNCCc2ccc(cc2)NC(=O)Cc3c sc(n3)N)O; Nc1scc(CC(=O)Nc2ccc(CCNC[CH]( O)c3ccccc3)cc2)n1; c1ccc(cc1)C(CNCCc2ccc (cc2)NC(=O)Cc3csc(n3)N)O; Nc1scc(CC(=O)N c2ccc(CCNC[C@H](O)c3ccccc3)cc2)n1 |
2-(2-azanyl-1,3-thiazol-4-yl)-N-[4-[2-[[(2R)-2-oxidanyl-2-phenyl-ethyl]amino]ethyl]phenyl]ethanamide |
| 26895 |  H6V |
1 | C22 H25 N3 O3 S | InChI=1S/C22H25N3O3S/c23- 16-6-4-5-15(13-16)20(28-1 2-11-25-9-2-1-3-10-25)19- 14-18-21(29-19)17(22(26)2 7)7-8-24-18/h4-8,13-14,20 H,1-3,9-12,23H2,(H,26,27) /t20-/m1/s1; FTKYSFLMVOPKTH-HXUWFJFHSA-N |
c1cc(cc(c1)N)C(c2cc3c(s2)c(ccn3)C(=O)O)O CCN4CCCCC4; Nc1cccc(c1)[C@@H](OCCN2CCCCC 2)c3sc4c(c3)nccc4C(O)=O; c1cc(cc(c1)N)[C @H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4; Nc1cccc(c1)[CH](OCCN2CCCCC2)c3sc4c(c3)n ccc4C(O)=O; C(=O)(O)c2c1sc(cc1ncc2)C(OCC N3CCCCC3)c4cccc(c4)N |
2-{(R)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid |
| 26896 |  H6W CHEMBL4561280 |
2 | C18 H21 N5 O2 | InChI=1S/C18H21N5O2/c1-22 (2)8-3-7-19-17-6-9-23-18( 21-17)14(11-20-23)13-4-5- 15-16(10-13)25-12-24-15/h 4-6,9-11H,3,7-8,12H2,1-2H 3,(H,19,21); DQYRQFLRDJTHQM-UHFFFAOYSA-N |
CN(C)CCCNc1ccn2c(n1)c(cn2)c3ccc4c(c3)OCO 4; CN(C)CCCNc1ccn2ncc(c3ccc4OCOc4c3)c2n1 |
~{N}-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-~{N}',~{N}'-dimethyl-propane-1,3-diamine |
| 26897 |  H6X CHEMBL4756275 |
1 | C31 H42 N6 O3 | InChI=1S/C31H42N6O3/c1-35 -13-15-36(16-14-35)26-9-1 1-37(12-10-26)29-8-7-25(1 9-30(29)40-4)34-31-32-21- 24(22-33-31)6-5-23-17-27( 38-2)20-28(18-23)39-3/h7- 8,17-22,26H,5-6,9-16H2,1- 4H3,(H,32,33,34); KTAFHTVOQVOCCA-UHFFFAOYSA-N |
COc1cc(CCc2cnc(Nc3ccc(N4CCC(CC4)N5CCN(C) CC5)c(OC)c3)nc2)cc(OC)c1; CN1CCN(CC1)C2C CN(CC2)c3ccc(cc3OC)Nc4ncc(cn4)CCc5cc(cc( c5)OC)OC |
5-[2-(3,5-dimethoxyphenyl)ethyl]-N-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine |
| 26898 |  H6Y CHEMBL4449132 ZINC000139919582 |
1 | C10 H16 N5 O14 P3 | InChI=1S/C10H16N5O14P3/c1 1-7-4-8(13-2-12-7)15(10(1 8)14-4)9-6(17)5(16)3(27-9 )1-26-31(22,23)29-32(24,2 5)28-30(19,20)21/h2-3,5-6 ,9,16-17H,1H2,(H,14,18)(H ,22,23)(H,24,25)(H2,11,12 ,13)(H2,19,20,21)/t3-,5-, 6-,9-/m1/s1; CAIHKAFUTAIAPY-UUOKFMHZSA-N |
Nc1ncnc2N([C@@H]3O[C@H](CO[P](O)(=O)O[P] (O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O)C(= O)Nc12; c1nc(c2c(n1)N(C(=O)N2)C3C(C(C(O3 )COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N; c1 nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]( [C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O )O)N; Nc1ncnc2N([CH]3O[CH](CO[P](O)(=O)O [P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O)C(= O)Nc12 |
8-OXO-ADENOSINE-5'-TRIPHOSPHATE |
| 26899 |  H6Z |
1 | C9 H19 O11 P | InChI=1S/C9H19O11P/c1-3(8 (13)14)19-21(16,17)20-7-6 (12)5(11)4(2-10)18-9(7)15 /h3-15H,2H2,1H3,(H,16,17) /t3-,4+,5+,6-,7+,9-/m0/s1; SILWFZFNYLTARD-MRXKBSKTSA-N |
C[C@H](O[P](O)(=O)O[C@H]1[C@@H](O)O[C@H] (CO)[C@@H](O)[C@@H]1O)C(O)O; CC(C(O)O)OP (=O)(O)OC1C(C(C(OC1O)CO)O)O; C[C@@H](C(O )O)OP(=O)(O)O[C@@H]1[C@H]([C@@H]([C@H](O [C@@H]1O)CO)O)O; C[CH](O[P](O)(=O)O[CH]1 [CH](O)O[CH](CO)[CH](O)[CH]1O)C(O)O |
2-O-[(R)-{[(2S)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-alpha-D-glucopyranose; [(2~{S})-1,1-bis(oxidanyl)propan-2-yl] [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate; 2-O-[(R)-{[(2S)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-alpha-D-glucose; 2-O-[(R)-{[(2S)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-D-glucose; 2-O-[(R)-{[(2S)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-glucose |
| 26900 |  H70 CHEMBL1738810 ZINC000066156754 |
2 | C10 H4 Br3 Cl2 N O | InChI=1S/C10H4Br3Cl2NO/c1 1-6-7(12)10(13)16-8(6)4-1 -3(14)2-5(15)9(4)17/h1-2, 16-17H; KMUJMUQZYHMNDR-UHFFFAOYSA-N |
Brc2c(c1cc(Cl)cc(Cl)c1O)nc(Br)c2Br; c1c( cc(c(c1c2c(c(c([nH]2)Br)Br)Br)O)Cl)Cl; O c1c(Cl)cc(Cl)cc1c2[nH]c(Br)c(Br)c2Br |
2,4-DICHLORO-6-(3,4,5-TRIBROMO-1H-PYRROL-2-YL)PHENOL; TRIBROMODICHLOROPSEUDILIN |
| 26901 |  H71 CHEMBL200102 DB12638 ZINC000013679213 |
4 | C18 H21 I N6 O2 S | InChI=1S/C18H21IN6O2S/c1- 10(2)21-4-3-5-25-17-15(16 (20)22-8-23-17)24-18(25)2 8-14-7-13-12(6-11(14)19)2 6-9-27-13/h6-8,10,21H,3-5 ,9H2,1-2H3,(H2,20,22,23); SUPVGFZUWFMATN-UHFFFAOYSA-N |
CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3I) OCO4; CC(C)NCCCn1c(Sc2cc3OCOc3cc2I)nc4c( N)ncnc14; Ic3cc4OCOc4cc3Sc1nc2c(ncnc2n1C CCNC(C)C)N |
8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPROPYLAMINO)PROPYL]-9H-PURIN-6-AMINE |
| 26902 |  H72 CHEMBL4570029 |
1 | C19 H16 N6 O | InChI=1S/C19H16N6O/c20-18 (26)15-5-3-14(4-6-15)16-1 2-23-25-9-7-17(24-19(16)2 5)22-11-13-2-1-8-21-10-13 /h1-10,12H,11H2,(H2,20,26 )(H,22,24); LMGXQBQAUALFTB-UHFFFAOYSA-N |
NC(=O)c1ccc(cc1)c2cnn3ccc(NCc4cccnc4)nc2 3; c1cc(cnc1)CNc2ccn3c(n2)c(cn3)c4ccc(cc 4)C(=O)N |
4-[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide |
| 26903 |  H73 CHEMBL4783114 |
6 | C27 H36 N12 O7 S | InChI=1S/C27H36N12O7S/c1- 27(2)18(34-15-20(37-27)35 -26(29)36-22(15)42)23(43) 30-4-6-38-5-3-11(7-12(38) 25(44)45)47-8-13-16(40)17 (41)24(46-13)39-10-33-14- 19(28)31-9-32-21(14)39/h9 -13,16-17,24,40-41H,3-8H2 ,1-2H3,(H,30,43)(H,44,45) (H2,28,31,32)(H4,29,35,36 ,37,42)/t11-,12-,13-,16-, 17-,24-/m1/s1; DFLAELLQWVMGCU-NERDUYAPSA-N |
C(O)(C4CC(SCC3C(O)C(O)C(n2cnc1c2ncnc1N)O 3)CCN4CCNC(=O)C=6C(C)(C)NC5=C(C(=O)NC(=N 5)N)N=6)=O; CC1(C(=NC2=C(N1)N=C(NC2=O)N) C(=O)NCCN3CCC(CC3C(=O)O)SCC4C(C(C(O4)n5c nc6c5ncnc6N)O)O)C; CC1(C)NC2=C(N=C1C(=O) NCCN3CC[CH](C[CH]3C(O)=O)SC[CH]4O[CH]([C H](O)[CH]4O)n5cnc6c(N)ncnc56)C(=O)NC(=N2 )N; CC1(C)NC2=C(N=C1C(=O)NCCN3CC[C@H](C[ C@@H]3C(O)=O)SC[C@H]4O[C@H]([C@H](O)[C@@ H]4O)n5cnc6c(N)ncnc56)C(=O)NC(=N2)N; CC1 (C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN3CC[C@ H](C[C@@H]3C(=O)O)SC[C@@H]4[C@H]([C@H]([ C@@H](O4)n5cnc6c5ncnc6N)O)O)C |
5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine |
| 26904 |  H74 |
1 | C25 H27 N3 O4 S | InChI=1S/C25H27N3O4S/c1-2 -22(29)27-18-8-6-7-17(15- 18)23(32-14-13-28-11-4-3- 5-12-28)21-16-20-24(33-21 )19(25(30)31)9-10-26-20/h 2,6-10,15-16,23H,1,3-5,11 -14H2,(H,27,29)(H,30,31)/ t23-/m1/s1; GFSKHNOSSPZNTP-HSZRJFAPSA-N |
C=CC(=O)Nc1cccc(c1)[C@H](c2cc3c(s2)c(ccn 3)C(=O)O)OCCN4CCCCC4; OC(=O)c1ccnc2cc(sc 12)[C@H](OCCN3CCCCC3)c4cccc(NC(=O)C=C)c4 ; C=CC(=O)Nc1cccc(c1)C(c2cc3c(s2)c(ccn3) C(=O)O)OCCN4CCCCC4; OC(=O)c1ccnc2cc(sc12 )[CH](OCCN3CCCCC3)c4cccc(NC(=O)C=C)c4; [ C@H](C(=O)Nc4cccc(C(c2cc1c(c(C(=O)O)ccn1 )s2)OCCN3CCCCC3)c4)=C |
2-{(R)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid |
| 26905 |  H75 ZINC000095920770 |
1 | C13 H13 Br N2 O | InChI=1S/C13H13BrN2O/c14- 10-4-6-11(7-5-10)16-9-12- 3-1-2-8-15(12)13(16)17/h4 -7,9H,1-3,8H2; GFAHDFVNRDEGGX-UHFFFAOYSA-N |
Brc1ccc(cc1)N2C=C3N(C2=O)CCCC3; Brc1ccc( cc1)N2C=C3CCCCN3C2=O; c1cc(ccc1N2C=C3CCC CN3C2=O)Br |
2-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3(2H)-one |
| 26906 |  H76 ZINC000098208989 |
4 | C7 H11 N O2 | InChI=1S/C7H11NO2/c1-3-5- 7(10)6(9)4(2)8-5/h1,4-10H ,2H3/t4-,5-,6+,7-/m0/s1; GZJFMFYHQIVXNV-YTLHQDLWSA-N |
C[C@@H]1N[C@@H](C#C)[C@H](O)[C@@H]1O; CC 1C(C(C(N1)C#C)O)O; C[C@H]1[C@H]([C@H]([C @@H](N1)C#C)O)O; C(#C)C1NC(C)C(O)C1O; C[ CH]1N[CH](C#C)[CH](O)[CH]1O |
(2S,3S,4R,5S)-2-ethynyl-5-methylpyrrolidine-3,4-diol |
| 26907 |  H77 |
1 | C28 H34 N4 O4 S | InChI=1S/C28H34N4O4S/c1-3 1(2)13-7-10-25(33)30-21-9 -6-8-20(18-21)26(36-17-16 -32-14-4-3-5-15-32)24-19- 23-27(37-24)22(28(34)35)1 1-12-29-23/h6-12,18-19,26 H,3-5,13-17H2,1-2H3,(H,30 ,33)(H,34,35)/b10-7+/t26- /m1/s1; KIIDGZQVWULCMZ-GYAHLDOBSA-N |
CN(C)C\C=C\C(=O)Nc1cccc(c1)[C@@H](OCCN2C CCCC2)c3sc4c(c3)nccc4C(O)=O; CN(C)C/C=C/ C(=O)Nc1cccc(c1)[C@H](c2cc3c(s2)c(ccn3)C (=O)O)OCCN4CCCCC4; C(=O)(O)c2c1sc(cc1ncc 2)C(c3cc(ccc3)NC(=O)[C@H]=[C@H]CN(C)C)OC CN4CCCCC4; CN(C)CC=CC(=O)Nc1cccc(c1)C(c2 cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4; CN(C) CC=CC(=O)Nc1cccc(c1)[CH](OCCN2CCCCC2)c3s c4c(c3)nccc4C(O)=O |
2-{(R)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid |
| 26908 |  H78 CHEMBL3410460 ZINC000261173999 |
1 | C34 H36 N2 O18 P4 S2 | InChI=1S/C34H36N2O18P4S2/ c37-33(55(39,40)41,56(42, 43)44)21-23-6-1-8-25(16-2 3)27-10-3-12-29(18-27)35- 59(51,52)31-14-5-15-32(20 -31)60(53,54)36-30-13-4-1 1-28(19-30)26-9-2-7-24(17 -26)22-34(38,57(45,46)47) 58(48,49)50/h1-20,35-38H, 21-22H2,(H2,39,40,41)(H2, 42,43,44)(H2,45,46,47)(H2 ,48,49,50); UKSQFLAKPJZXNT-UHFFFAOYSA-N |
O=S(=O)(Nc2cc(c1cccc(c1)CC(O)(P(=O)(O)O) P(=O)(O)O)ccc2)c3cccc(c3)S(=O)(=O)Nc5cc( c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O)ccc5 ; c1cc(cc(c1)c2cccc(c2)NS(=O)(=O)c3cccc( c3)S(=O)(=O)Nc4cccc(c4)c5cccc(c5)CC(O)(P (=O)(O)O)P(=O)(O)O)CC(O)(P(=O)(O)O)P(=O) (O)O; OC(Cc1cccc(c1)c2cccc(N[S](=O)(=O)c 3cccc(c3)[S](=O)(=O)Nc4cccc(c4)c5cccc(CC (O)([P](O)(O)=O)[P](O)(O)=O)c5)c2)([P](O )(O)=O)[P](O)(O)=O |
[1-oxidanyl-2-[3-[3-[[3-[[3-[3-(2-oxidanyl-2,2-diphosphono-ethyl)phenyl]phenyl]sulfamoyl]phenyl]sulfonylamino]phenyl]phenyl]-1-phosphono-ethyl]phosphonic acid |
| 26909 |  H79 |
4 | C20 H15 Fe N4 O2 | InChI=1S/C15H19N4O2.C5H5. Fe/c1-10-14(20)15(21)13(1 6-10)12-9-19(18-17-12)8-4 -7-11-5-2-3-6-11;1-2-4-5- 3-1;/h2-7,9-10,13-16,20-2 1H,8H2,1H3;1-5H;/b7-4+;;/ t10-,13-,14+,15-;;/m0../s 1; FQODPMWJAJVXMD-YCHRPOLYSA-N |
C[C@H]1[C@H]([C@H]([C@@H](N1)c2cn(nn2)C/ C=C/C34[C]5[Fe]3678912([C]5[C]6[C]74)[C] 3[C]8[C]9[C]1[C]23)O)O; CC1C(C(C(N1)c2cn (nn2)CC=CC34[C]5[Fe]3678912([C]5[C]6[C]7 4)[C]3[C]8[C]9[C]1[C]23)O)O; C[C@@H]1N[C @H]([C@H](O)[C@@H]1O)c2cn(C\C=C\C3([Fe]) CCCC3)nn2.C4CCCC4; C[CH]1N[CH]([CH](O)[C H]1O)c2cn(CC=CC3([Fe])CCCC3)nn2.C4CCCC4 |
[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-1-{3-[4-(3,4-dihydroxy-5-methylpyrrolidin-2-yl)-1H-1,2,3-triazol-1-yl]prop-1-en-1-yl}cyclopentadienyl]iron |
| 26910 |  H7A |
2 | C16 H16 F N O6 S | InChI=1S/C16H16FNO6S/c1-8 -14(16(19)20)15(9(2)24-8) 25(21,22)18-12-5-6-23-13- 4-3-10(17)7-11(12)13/h3-4 ,7,12,18H,5-6H2,1-2H3,(H, 19,20)/t12-/m1/s1; YXLDXDUEWBKCKU-GFCCVEGCSA-N |
Cc1oc(C)c(c1C(O)=O)[S](=O)(=O)N[CH]2CCOc 3ccc(F)cc23; Cc1c(c(c(o1)C)S(=O)(=O)N[C@ @H]2CCOc3c2cc(cc3)F)C(=O)O; Cc1c(c(c(o1) C)S(=O)(=O)NC2CCOc3c2cc(cc3)F)C(=O)O; Cc 1oc(C)c(c1C(O)=O)[S](=O)(=O)N[C@@H]2CCOc 3ccc(F)cc23; C2CC(c1c(ccc(c1)F)O2)NS(c3c (c(C)oc3C)C(O)=O)(=O)=O |
4-{[(4R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-4-yl]sulfamoyl}-2,5-dimethylfuran-3-carboxylic acid |
| 26911 |  H7B |
3 | C27 H31 Cl N6 O2 | InChI=1S/C27H31ClN6O2/c1- 17-30-31-27-23(16-25(35)3 3-13-11-20(12-14-33)32(2) 3)29-26(18-5-7-19(28)8-6- 18)22-15-21(36-4)9-10-24( 22)34(17)27/h5-10,15,20,2 3H,11-14,16H2,1-4H3/t23-/ m0/s1; TWEGKGBKRSDRFW-QHCPKHFHSA-N |
COc1ccc2n3c(C)nnc3[CH](CC(=O)N4CCC(CC4)N (C)C)N=C(c5ccc(Cl)cc5)c2c1; Cc1nnc2n1-c3 ccc(cc3C(=N[C@H]2CC(=O)N4CCC(CC4)N(C)C)c 5ccc(cc5)Cl)OC; Cc1nnc2n1-c3ccc(cc3C(=NC 2CC(=O)N4CCC(CC4)N(C)C)c5ccc(cc5)Cl)OC; COc1ccc2n3c(C)nnc3[C@H](CC(=O)N4CCC(CC4) N(C)C)N=C(c5ccc(Cl)cc5)c2c1 |
2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone |
| 26912 |  H7C |
1 | C20 H22 N2 O2 S | InChI=1S/C20H22N2O2S/c1-2 3-13-3-5-18-16(11-13)20(2 5-15-7-9-21-10-8-15)17-12 -14(24-2)4-6-19(17)22-18/ h3-6,11-12,15,21H,7-10H2, 1-2H3; ZXEZPSYSBIFZGE-UHFFFAOYSA-N |
COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SC4CCNCC4; COc1ccc2nc3ccc(OC)cc3c(SC4CCNCC4)c2c1 |
2,7-dimethoxy-9-piperidin-4-ylsulfanyl-acridine |
| 26913 |  H7D |
2 | C13 H24 N2 O4 S | InChI=1S/C13H24N2O4S/c16- 13(17)11-7-3-1-2-4-8-12(1 1)14-20(18,19)15-9-5-6-10 -15/h11-12,14H,1-10H2,(H, 16,17)/t11-,12+/m1/s1; SEHSQFUMMWGJHC-NEPJUHHUSA-N |
N(C1C(C(O)=O)CCCCCC1)S(N2CCCC2)(=O)=O; O C(=O)[C@@H]1CCCCCC[C@@H]1N[S](=O)(=O)N2C CCC2; C1CCCC(C(CC1)C(=O)O)NS(=O)(=O)N2CC CC2; C1CCC[C@@H]([C@@H](CC1)C(=O)O)NS(=O )(=O)N2CCCC2; OC(=O)[CH]1CCCCCC[CH]1N[S] (=O)(=O)N2CCCC2 |
(1R,2S)-2-{[(pyrrolidin-1-yl)sulfonyl]amino}cyclooctane-1-carboxylic acid |
| 26914 |  H7E |
2 | C34 H39 Cl N7 O2 | InChI=1S/C34H38ClN7O2/c1- 22-38-39-34-30(21-32(43)3 6-25-10-12-26(13-11-25)40 -18-16-27(17-19-40)42(2,3 )4)37-33(23-6-8-24(35)9-7 -23)29-20-28(44-5)14-15-3 1(29)41(22)34/h6-15,20,27 ,30H,16-19,21H2,1-5H3/p+1 /t30-/m0/s1; WDWNSWKCDGLBCQ-PMERELPUSA-O |
COc1ccc2n3c(C)nnc3[C@H](CC(=O)Nc4ccc(cc4 )N5CCC(CC5)[N+](C)(C)C)N=C(c6ccc(Cl)cc6) c2c1; Cc1nnc2n1-c3ccc(cc3C(=NC2CC(=O)Nc4 ccc(cc4)N5CCC(CC5)[N+](C)(C)C)c6ccc(cc6) Cl)OC; Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2CC(= O)Nc4ccc(cc4)N5CCC(CC5)[N+](C)(C)C)c6ccc (cc6)Cl)OC; COc1ccc2n3c(C)nnc3[CH](CC(=O )Nc4ccc(cc4)N5CCC(CC5)[N+](C)(C)C)N=C(c6 ccc(Cl)cc6)c2c1 |
[1-[4-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]phenyl]piperidin-4-yl]-trimethyl-azanium |
| 26915 |  H7F |
1 | C22 H26 N2 O3 S | InChI=1S/C22H26N2O3S/c1-2 6-16-3-4-20-18(10-16)22(2 8-13-14-5-7-23-8-6-14)19- 11-17(27-2)9-15(12-25)21( 19)24-20/h3-4,9-11,14,23, 25H,5-8,12-13H2,1-2H3; BLHUWQJQGSBTQW-UHFFFAOYSA-N |
COc1ccc2nc3c(CO)cc(OC)cc3c(SCC4CCNCC4)c2 c1; COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SC C4CCNCC4 |
[2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridin-4-yl]methanol |
| 26916 |  H7G |
2 | C14 H12 Cl N O5 S | InChI=1S/C14H12ClNO5S/c15 -11-5-2-6-12(14(11)19)22( 20,21)16-10-4-1-3-9(7-10) 8-13(17)18/h1-7,16,19H,8H 2,(H,17,18); KIHNFFHPSDCHNU-UHFFFAOYSA-N |
c1cc(cc(c1)NS(=O)(=O)c2cccc(c2O)Cl)CC(=O )O; c1c(c(O)c(cc1)Cl)S(Nc2cc(CC(=O)O)ccc 2)(=O)=O; OC(=O)Cc1cccc(N[S](=O)(=O)c2cc cc(Cl)c2O)c1 |
(3-{[(3-chloro-2-hydroxyphenyl)sulfonyl]amino}phenyl)acetic acid |
| 26917 |  H7I |
0 | C12 H21 N3 O4 | InChI=1S/C12H21N3O4/c1-14 -9(4-5-11(17)18)12(19)15- 6-2-3-8(15)7-10(13)16/h8- 9,14H,2-7H2,1H3,(H2,13,16 )(H,17,18)/t8-,9-/m0/s1; IJESADAJOPKBFE-IUCAKERBSA-N |
CNC(CCC(=O)O)C(=O)N1CCCC1CC(=O)N; CN[C@@ H](CCC(=O)O)C(=O)N1CCC[C@H]1CC(=O)N; CN[ C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1CC(N)=O; CN[CH](CCC(O)=O)C(=O)N1CCC[CH]1CC(N)=O |
(4~{S})-5-[(2~{S})-2-(2-azanyl-2-oxidanylidene-ethyl)pyrrolidin-1-yl]-4-(methylamino)-5-oxidanylidene-pentanoic acid |
| 26918 |  H7J DB07878 ZINC000016052155 |
5 | C21 H28 N4 O2 | InChI=1S/C21H28N4O2/c1-6- 7-13-18(16(4)26)25-14-19( 23-24-25)21(5,15(2)3)22-2 0(27)17-11-9-8-10-12-17/h 6-12,14-15,18H,13H2,1-5H3 ,(H,22,27)/b7-6+/t18-,21+ /m1/s1; OEHUTYXPQSSKAK-RVLLMHTFSA-N |
C\C=C\CC(C(=O)C)n1cc(nn1)[C@](C)(C(C)C)N C(=O)c2ccccc2; CC=CC[CH](n1cc(nn1)[C](C) (NC(=O)c2ccccc2)C(C)C)C(C)=O; CC=CCC(C(= O)C)n1cc(nn1)C(C)(C(C)C)NC(=O)c2ccccc2; C/C=C/C[C@@H](n1cc(nn1)[C@@](C)(NC(=O)c2 ccccc2)C(C)C)C(C)=O; O=C(C(n1nnc(c1)C(NC (=O)c2ccccc2)(C)C(C)C)C/C=C/C)C |
N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE |
| 26919 |  H7K ZINC000101805985 |
1 | C23 H25 N3 O4 | InChI=1S/C23H25N3O4/c1-29 -23(28)20-9-8-19(30-20)22 -18-11-14-10-13(2-7-17(14 )21(18)25-26-22)12-24-15- 3-5-16(27)6-4-15/h2,7-10, 15-16,24,27H,3-6,11-12H2, 1H3,(H,25,26)/t15-,16+; MCIHIBVPUQANQG-IYBDPMFKSA-N |
COC(=O)c1oc(cc1)c2[nH]nc3c2Cc4cc(CN[CH]5 CC[CH](O)CC5)ccc34; COC(=O)c1ccc(o1)c2c3 c(n[nH]2)-c4ccc(cc4C3)CNC5CCC(CC5)O; O=C (OC)c5oc(c1c3c(nn1)c2ccc(cc2C3)CNC4CCC(O )CC4)cc5; COC(=O)c1oc(cc1)c2[nH]nc3c2Cc4 cc(CN[C@@H]5CC[C@H](O)CC5)ccc34 |
methyl 5-(6-{[(cis-4-hydroxycyclohexyl)amino]methyl}-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)furan-2-carboxylate |
| 26920 |  H7L |
1 | C20 H22 N2 O3 S | InChI=1S/C20H22N2O3S/c1-2 4-14-3-4-18-16(6-14)20(26 -11-12-8-21-9-12)17-7-15( 25-2)5-13(10-23)19(17)22- 18/h3-7,12,21,23H,8-11H2, 1-2H3; LQGSUZHCPSEDRI-UHFFFAOYSA-N |
COc1ccc2nc3c(CO)cc(OC)cc3c(SCC4CNC4)c2c1 ; COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SCC4 CNC4 |
[9-(azetidin-3-ylmethylsulfanyl)-2,7-dimethoxy-acridin-4-yl]methanol |
| 26921 |  H7M |
2 | C15 H13 Cl N4 O3 S2 | InChI=1S/C15H13ClN4O3S2/c 1-20-9-17-18-15(20)24-12- 7-3-2-6-11(12)19-25(22,23 )13-8-4-5-10(16)14(13)21/ h2-9,19,21H,1H3; DNTLDOPFKLUBET-UHFFFAOYSA-N |
Cn1cnnc1Sc2ccccc2NS(=O)(=O)c3cccc(c3O)Cl ; c2cc(c(NS(c1c(c(ccc1)Cl)O)(=O)=O)cc2)S c3n(C)cnn3; Cn1cnnc1Sc2ccccc2N[S](=O)(=O )c3cccc(Cl)c3O |
3-chloro-2-hydroxy-N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]phenyl}benzene-1-sulfonamide |
| 26922 |  H7N |
6 | C10 H23 O3 P | InChI=1S/C10H23O3P/c1-3-5 -7-8-10-14(11,12)13-9-6-4 -2/h3-10H2,1-2H3,(H,11,12 ); ALZDUSNEVXETKK-UHFFFAOYSA-N |
CCCCCC[P@@](=O)(O)OCCCC; CCCCCCP(=O)(O)O CCCC; CCCCCC[P](O)(=O)OCCCC |
butoxy(hexyl)phosphinic acid |
| 26923 |  H7O |
1 | C27 H28 N2 O2 S | InChI=1S/C27H28N2O2S/c1-3 0-21-7-9-25-23(15-21)27(3 2-18-20-11-13-28-14-12-20 )24-16-22(8-10-26(24)29-2 5)31-17-19-5-3-2-4-6-19/h 2-10,15-16,20,28H,11-14,1 7-18H2,1H3; IRMHIUWIWIYJIY-UHFFFAOYSA-N |
COc1ccc2nc3ccc(OCc4ccccc4)cc3c(SCC5CCNCC 5)c2c1; COc1ccc2c(c1)c(c3cc(ccc3n2)OCc4c cccc4)SCC5CCNCC5 |
2-methoxy-7-phenylmethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine |
| 26924 |  H7P CHEMBL4161733 DB14986 |
4 | C24 H24 Cl F N2 O | InChI=1S/C24H24ClFN2O/c1- 15(24(29)28-20-9-6-18(25) 7-10-20)16-2-4-17(5-3-16) 21-12-13-27-23-11-8-19(26 )14-22(21)23/h6-17H,2-5H2 ,1H3,(H,28,29)/t15-,16-,1 7+/m1/s1; KRTIYQIPSAGSBP-ZACQAIPSSA-N |
C[C@H]([C@H]1CC[C@H](CC1)c2ccnc3ccc(F)cc 23)C(=O)Nc4ccc(Cl)cc4; C3(c2c1c(ccc(c1)F )ncc2)CCC(CC3)C(C(Nc4ccc(cc4)Cl)=O)C; C[ CH]([CH]1CC[CH](CC1)c2ccnc3ccc(F)cc23)C( =O)Nc4ccc(Cl)cc4; CC(C1CCC(CC1)c2ccnc3c2 cc(cc3)F)C(=O)Nc4ccc(cc4)Cl; C[C@H](C1CC C(CC1)c2ccnc3c2cc(cc3)F)C(=O)Nc4ccc(cc4) Cl |
(2R)-N-(4-chlorophenyl)-2-[cis-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide |
| 26925 |  H7Q CHEMBL4476309 |
1 | C27 H33 N3 O2 | InChI=1S/C27H33N3O2/c28-2 6-27(10-3-4-11-27)22-14-2 4(32-18-19-8-9-19)25(15-2 3(22)29-26)31-13-5-12-30- 16-20-6-1-2-7-21(20)17-30 /h1-2,6-7,14-15,19H,3-5,8 -13,16-18H2,(H2,28,29); BHUFHRHQTFNIPQ-UHFFFAOYSA-N |
c1ccc2c(c1)CN(C2)CCCOc3cc4c(cc3OCC5CC5)C 6(CCCC6)C(=N4)N; NC1=Nc2cc(OCCCN3Cc4cccc c4C3)c(OCC5CC5)cc2C16CCCC6 |
5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine |
| 26926 |  H7R |
1 | C18 H21 N3 O S3 | InChI=1S/C18H21N3OS3/c1-2 2-12-3-4-14-13(9-12)16(24 -10-11-5-7-19-8-6-11)15-1 7(20-14)25-18(21-15)23-2/ h3-4,9,11,19H,5-8,10H2,1- 2H3; KISGNIWYHBITOB-UHFFFAOYSA-N |
COc1ccc2nc3sc(SC)nc3c(SCC4CCNCC4)c2c1; C Oc1ccc2c(c1)c(c3c(n2)sc(n3)SC)SCC4CCNCC4 |
7-methoxy-2-methylsulfanyl-9-(piperidin-4-ylmethylsulfanyl)-[1,3]thiazolo[5,4-b]quinoline |
| 26927 |  H7S CHEMBL4090501 ZINC000100427992 |
20 | C12 H9 F N2 O2 | InChI=1S/C12H9FN2O2/c13-6 -1-2-10-7(3-6)9(5-14-10)8 -4-11(16)15-12(8)17/h1-3, 5,8,14H,4H2,(H,15,16,17)/ t8-/m0/s1; MXKLDYKORJEOPR-QMMMGPOBSA-N |
c1cc2c(cc1F)c(c[nH]2)[C@@H]3CC(=O)NC3=O; c1cc2c(cc1F)c(c[nH]2)C3CC(=O)NC3=O; Fc1 ccc2[nH]cc([C@@H]3CC(=O)NC3=O)c2c1; C1(C (NC(=O)C1)=O)c2cnc3c2cc(cc3)F; Fc1ccc2[n H]cc([CH]3CC(=O)NC3=O)c2c1 |
(3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione |
| 26928 |  H7T CHEMBL4451634 |
3 | C42 H58 N8 O4 | InChI=1S/C42H58N8O4/c1-42 (2)36-23-38(54-29-31-6-7- 31)39(24-37(36)44-41(42)4 3)53-20-5-16-48-25-32-8-9 -35(22-33(32)26-48)52-21- 13-34-27-50(46-45-34)28-4 0(51)49-18-11-30(12-19-49 )10-17-47-14-3-4-15-47/h8 -9,22-24,27,30-31H,3-7,10 -21,25-26,28-29H2,1-2H3,( H2,43,44); XPEJZXWPKDAYFX-UHFFFAOYSA-N |
CC1(c2cc(c(cc2N=C1N)OCCCN3Cc4ccc(cc4C3)O CCc5cn(nn5)CC(=O)N6CCC(CC6)CCN7CCCC7)OCC 8CC8)C; CC1(C)C(=Nc2cc(OCCCN3Cc4ccc(OCCc 5cn(CC(=O)N6CCC(CCN7CCCC7)CC6)nn5)cc4C3) c(OCC8CC8)cc12)N |
2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone |
| 26929 |  H7U |
1 | C23 H28 N2 O2 S | InChI=1S/C23H28N2O2S/c1-1 5(2)27-18-5-7-22-20(13-18 )23(28-14-16-8-10-24-11-9 -16)19-12-17(26-3)4-6-21( 19)25-22/h4-7,12-13,15-16 ,24H,8-11,14H2,1-3H3; WSFKEKRERBERDM-UHFFFAOYSA-N |
CC(C)Oc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCC4CC NCC4; COc1ccc2nc3ccc(OC(C)C)cc3c(SCC4CCN CC4)c2c1 |
2-methoxy-9-(piperidin-4-ylmethylsulfanyl)-7-propan-2-yloxy-acridine |
| 26930 |  H7V ZINC000000403058 |
0 | C10 H19 N O2 | InChI=1S/C10H19NO2/c1-11- 9(10(12)13)7-8-5-3-2-4-6- 8/h8-9,11H,2-7H2,1H3,(H,1 2,13)/t9-/m0/s1; GBMDYACPQYNUGA-VIFPVBQESA-N |
CN[C@@H](CC1CCCCC1)C(O)=O; N(C(C(O)=O)CC 1CCCCC1)C; CN[C@@H](CC1CCCCC1)C(=O)O; CN C(CC1CCCCC1)C(=O)O; CN[CH](CC1CCCCC1)C(O )=O |
3-cyclohexyl-N-methyl-L-alanine |
| 26931 |  H7W CHEMBL3701697 ZINC000117372460 |
1 | C21 H29 N3 O2 | InChI=1S/C21H29N3O2/c1-14 -17-8-5-9-18(20(22)25)19( 17)21(26)24(14)16-10-12-2 3(13-11-16)15-6-3-2-4-7-1 5/h5,8-9,14-16H,2-4,6-7,1 0-13H2,1H3,(H2,22,25)/t14 -/m0/s1; OYGLTKXMFGWXJT-AWEZNQCLSA-N |
C[CH]1N(C2CCN(CC2)C3CCCCC3)C(=O)c4c1cccc 4C(N)=O; C[C@@H]1N(C2CCN(CC2)C3CCCCC3)C( =O)c4c1cccc4C(N)=O; CC1c2cccc(c2C(=O)N1C 3CCN(CC3)C4CCCCC4)C(=O)N; C[C@H]1c2cccc( c2C(=O)N1C3CCN(CC3)C4CCCCC4)C(=O)N |
(1~{S})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{H}-isoindole-4-carboxamide |
| 26932 |  H7X |
1 | C22 H24 N2 O4 S | InChI=1S/C22H24N2O4S/c1-2 7-14-3-4-19-16(9-14)21(29 -12-13-5-7-23-8-6-13)17-1 0-15(28-2)11-18(22(25)26) 20(17)24-19/h3-4,9-11,13, 23H,5-8,12H2,1-2H3,(H,25, 26); MQAACDZZXHHSOP-UHFFFAOYSA-N |
COc1ccc2c(c1)c(c3cc(cc(c3n2)C(=O)O)OC)SC C4CCNCC4; COc1ccc2nc3c(cc(OC)cc3c(SCC4CC NCC4)c2c1)C(O)=O |
2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine-4-carboxylic acid |
| 26933 |  H7Y CHEMBL193598 ZINC000000391122 |
8 | C10 H12 O2 | InChI=1S/C10H12O2/c1-3-4- 8-5-6-9(11)10(7-8)12-2/h3 -7,11H,1-2H3/b4-3+; BJIOGJUNALELMI-ONEGZZNKSA-N |
C/C=C/c1ccc(c(c1)OC)O; COc1cc(C=CC)ccc1O ; CC=Cc1ccc(c(c1)OC)O; COc1cc(/C=C/C)ccc 1O |
ISOEUGENOL |
| 26934 |  H7Z CHEMBL3701698 ZINC000117366909 |
1 | C21 H29 N3 O2 | InChI=1S/C21H29N3O2/c1-14 -17-8-5-9-18(20(22)25)19( 17)21(26)24(14)16-10-12-2 3(13-11-16)15-6-3-2-4-7-1 5/h5,8-9,14-16H,2-4,6-7,1 0-13H2,1H3,(H2,22,25)/t14 -/m1/s1; OYGLTKXMFGWXJT-CQSZACIVSA-N |
C[CH]1N(C2CCN(CC2)C3CCCCC3)C(=O)c4c1cccc 4C(N)=O; C[C@H]1N(C2CCN(CC2)C3CCCCC3)C(= O)c4c1cccc4C(N)=O; CC1c2cccc(c2C(=O)N1C3 CCN(CC3)C4CCCCC4)C(=O)N; C[C@@H]1c2cccc( c2C(=O)N1C3CCN(CC3)C4CCCCC4)C(=O)N |
(1~{R})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{H}-isoindole-4-carboxamide |
| 26935 |  H80 CHEMBL5286716 |
1 | C21 H24 N2 O3 S | InChI=1S/C21H24N2O3S/c1-2 5-15-3-4-19-17(8-15)21(27 -12-13-5-6-22-10-13)18-9- 16(26-2)7-14(11-24)20(18) 23-19/h3-4,7-9,13,22,24H, 5-6,10-12H2,1-2H3/t13-/m0 /s1; PBGPFWACZLCJFH-ZDUSSCGKSA-N |
COc1ccc2nc3c(CO)cc(OC)cc3c(SC[C@H]4CCNC4 )c2c1; COc1ccc2nc3c(CO)cc(OC)cc3c(SC[CH] 4CCNC4)c2c1; COc1ccc2c(c1)c(c3cc(cc(c3n2 )CO)OC)SC[C@H]4CCNC4; COc1ccc2c(c1)c(c3c c(cc(c3n2)CO)OC)SCC4CCNC4 |
[2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol |
| 26936 |  H81 |
1 | C21 H28 N6 O3 | InChI=1S/C21H28N6O3/c1-3- 19(28)23-8-6-9-24-20-15-1 3-17(29-2)18(30-12-7-22)1 4-16(15)25-21(26-20)27-10 -4-5-11-27/h1,13-14H,4-12 ,22H2,2H3,(H,23,28)(H,24, 25,26); OTBDPSSADBTPAB-UHFFFAOYSA-N |
c21cc(OCCN)c(cc1c(nc(n2)N3CCCC3)NCCCNC(C #C)=O)OC; COc1cc2c(NCCCNC(=O)C#C)nc(nc2c c1OCCN)N3CCCC3; COc1cc2c(cc1OCCN)nc(nc2N CCCNC(=O)C#C)N3CCCC3 |
N-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-ynamide |
| 26937 |  H82 |
1 | C28 H29 F3 N5 O4 | InChI=1S/C28H28F3N5O4/c1- 36-12-10-18(11-13-36)33-2 5(38)17-6-8-20(23(14-17)3 9-2)34-27-32-15-19(28(29, 30)31)26(35-27)40-22-5-3- 4-16-7-9-21(37)24(16)22/h 3-6,8,14-15,18H,7,9-13H2, 1-2H3,(H,33,38)(H,32,34,3 5)/p+1; QUSSZSMDFABHLI-UHFFFAOYSA-O |
C[NH+]1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3nc c(c(n3)Oc4cccc5c4C(=O)CC5)C(F)(F)F; COc1 cc(ccc1Nc2ncc(c(Oc3cccc4CCC(=O)c34)n2)C( F)(F)F)C(=O)NC5CC[NH+](C)CC5 |
3-methoxy-~{N}-(1-methylpiperidin-1-ium-4-yl)-4-[[4-[(3-oxidanylidene-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide |
| 26938 |  H83 CHEMBL4116056 |
3 | C17 H21 Cl N2 | InChI=1S/C17H21ClN2/c18-1 7-12-14(13-20-11-5-4-10-1 9)8-9-16(17)15-6-2-1-3-7- 15/h1-3,6-9,12,20H,4-5,10 -11,13,19H2; HJEYOGWGGOUBGH-UHFFFAOYSA-N |
NCCCCNCc1ccc(c(Cl)c1)c2ccccc2; c1ccc(cc1 )c2ccc(cc2Cl)CNCCCCN |
~{N}'-[(3-chloranyl-4-phenyl-phenyl)methyl]butane-1,4-diamine |
| 26939 |  H84 |
1 | C11 H16 Br2 N5 O11 P3 | InChI=1S/C11H16Br2N5O11P3 /c12-11(13,30(20,21)22)31 (23,24)29-32(25,26)27-2-6 -5(19)1-7(28-6)18-4-17-8- 9(14)15-3-16-10(8)18/h3-7 ,19H,1-2H2,(H,23,24)(H,25 ,26)(H2,14,15,16)(H2,20,2 1,22)/t5-,6+,7+/m0/s1; QNLUNEAMUQCVKG-RRKCRQDMSA-N |
c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3 )COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Br)Br)O)O )N; c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)( O)OP(=O)(C(P(=O)(O)O)(Br)Br)O)O)N; n1c(c 2c(nc1)n(cn2)C3OC(C(C3)O)COP(=O)(O)OP(O) (C(P(O)(O)=O)(Br)Br)=O)N; Nc1ncnc2n(cnc1 2)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)( =O)C(Br)(Br)[P](O)(O)=O)O3; Nc1ncnc2n(cn c12)[C@H]3C[C@H](O)[C@@H](CO[P](O)(=O)O[ P](O)(=O)C(Br)(Br)[P](O)(O)=O)O3 |
2'-deoxy-5'-O-[(R)-{[(R)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine; beta, gamma dATP analogue |
| 26940 |  H86 ZINC000016052648 |
2 | C23 H34 F2 N O7 P2 | InChI=1S/C23H33F2NO7P2/c1 -2-3-4-5-6-7-8-9-10-33-22 -13-19(18-11-20(24)14-21( 25)12-18)15-26(16-22)17-2 3(34(27,28)29)35(30,31)32 /h11-16,23H,2-10,17H2,1H3 ,(H3-,27,28,29,30,31,32)/ p+1; JONDYIHZOFRLBH-UHFFFAOYSA-O |
CCCCCCCCCCOc1cc(c[n+](CC([P](O)(O)=O)[P] (O)(O)=O)c1)c2cc(F)cc(F)c2; O=P(O)(O)C(P (=O)(O)O)C[n+]1cc(cc(OCCCCCCCCCC)c1)c2cc (F)cc(F)c2; CCCCCCCCCCOc1cc(c[n+](c1)CC( P(=O)(O)O)P(=O)(O)O)c2cc(cc(c2)F)F |
3-(decyloxy)-5-(3,5-difluorophenyl)-1-(2,2-diphosphonoethyl)pyridinium |
| 26941 |  H88 |
2 | C29 H26 N4 O5 S | InChI=1S/C29H26N4O5S/c1-1 8-3-10-23(16-25(18)31-27( 35)13-14-34)33-28(36)12-7 -21-17-30-26-15-20(6-11-2 4(26)29(21)33)19-4-8-22(9 -5-19)32-39(2,37)38/h3-12 ,15-17,32,34H,13-14H2,1-2 H3,(H,31,35); PBOKXQRUWSFTHG-UHFFFAOYSA-N |
Cc1ccc(cc1NC(=O)CCO)N2c3c4ccc(cc4ncc3C=C C2=O)c5ccc(cc5)NS(=O)(=O)C; Cc1ccc(cc1NC (=O)CCO)N2C(=O)C=Cc3cnc4cc(ccc4c23)c5ccc (N[S](C)(=O)=O)cc5 |
~{N}-[2-methyl-5-[8-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-benzo[h][1,6]naphthyridin-1-yl]phenyl]-3-oxidanyl-propanamide |
| 26942 |  H89 CHEMBL2324555 ZINC000095584565 |
2 | C26 H20 N4 O3 | InChI=1S/C26H20N4O3/c31-2 6(32)22-14-24(20-6-8-21(9 -7-20)33-17-19-4-2-1-3-5- 19)29-25-23(22)15-28-30(2 5)16-18-10-12-27-13-11-18 /h1-15H,16-17H2,(H,31,32); LEKPQTJLNDALBT-UHFFFAOYSA-N |
c1ccc(cc1)COc2ccc(cc2)c3cc(c4cnn(c4n3)Cc 5ccncc5)C(=O)O; OC(=O)c1cc(nc2n(Cc3ccncc 3)ncc12)c4ccc(OCc5ccccc5)cc4; O=C(O)c1cc (nc2c1cnn2Cc3ccncc3)c5ccc(OCc4ccccc4)cc5 |
6-[4-(benzyloxy)phenyl]-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| 26943 |  H8A |
1 | C18 H15 N5 O2 | InChI=1S/C18H15N5O2/c1-9- 8-24-16-14(9)13(25-11-4-2 -3-10(5-11)7-19)6-12-15(1 6)17(20)23-18(21)22-12/h2 -6,9H,8H2,1H3,(H4,20,21,2 2,23)/t9-/m0/s1; XWYWWNRDHWMQAL-VIFPVBQESA-N |
c2(Oc1cccc(c1)C#N)c4c(c3c(c2)nc(nc3N)N)O CC4C; CC1COc2c1c(cc3c2c(nc(n3)N)N)Oc4ccc c(c4)C#N; C[C@H]1COc2c1c(cc3c2c(nc(n3)N) N)Oc4cccc(c4)C#N; C[CH]1COc2c1c(Oc3cccc( c3)C#N)cc4nc(N)nc(N)c24; C[C@H]1COc2c1c( Oc3cccc(c3)C#N)cc4nc(N)nc(N)c24 |
3-{[(3R)-7,9-diamino-3-methyl-2,3-dihydrofuro[2,3-f]quinazolin-4-yl]oxy}benzonitrile |
| 26944 |  H8B |
1 | C18 H19 N3 O | InChI=1S/C18H19N3O/c1-20- 11-15-4-2-3-5-17(15)22-12 -13-6-7-14-8-9-18(19)21-1 6(14)10-13/h2-10,20H,11-1 2H2,1H3,(H2,19,21); HZAOUJWVXIQVGZ-UHFFFAOYSA-N |
CNCc1ccccc1OCc2ccc3ccc(nc3c2)N; CNCc1ccc cc1OCc2ccc3ccc(N)nc3c2 |
7-[[2-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine |
| 26945 |  H8C |
2 | C24 H20 N2 O2 | InChI=1S/C24H20N2O2/c1-14 -22(16(3)28-25-14)19-12-1 3-21-23-18(19)10-7-11-20( 23)24(27)26(21)15(2)17-8- 5-4-6-9-17/h4-13,15H,1-3H 3/t15-/m1/s1; ZZRITBGIUCLKNF-OAHLLOKOSA-N |
Cc1c(c(on1)C)c2ccc3c4c2cccc4C(=O)N3C(C)c 5ccccc5; C[CH](N1C(=O)c2cccc3c(ccc1c23)c 4c(C)onc4C)c5ccccc5; Cc1c(c(on1)C)c2ccc3 c4c2cccc4C(=O)N3[C@H](C)c5ccccc5; C[C@@H ](N1C(=O)c2cccc3c(ccc1c23)c4c(C)onc4C)c5 ccccc5 |
6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R)-1-phenylethyl]benzo[cd]indol-2-one |
| 26946 |  H8D CHEMBL1201356 DB00353 ZINC000095619105 |
2 | C20 H25 N3 O2 | InChI=1S/C20H25N3O2/c1-3- 14(11-24)22-20(25)13-7-16 -15-5-4-6-17-19(15)12(9-2 1-17)8-18(16)23(2)10-13/h 4-7,9,13-14,18,21,24H,3,8 ,10-11H2,1-2H3,(H,22,25)/ t13-,14+,18-/m1/s1; UNBRKDKAWYKMIV-QWQRMKEZSA-N |
CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3c[n H]c4c3c(ccc4)C2=C1)C; CC[CH](CO)NC(=O)[C H]1CN(C)[CH]2Cc3c[nH]c4cccc(C2=C1)c34; C CC(CO)NC(=O)C1CN(C2Cc3c[nH]c4c3c(ccc4)C2 =C1)C; c3ccc2C=1C(N(C)CC(C(NC(CO)CC)=O)C =1)Cc4c2c3nc4; CC[C@@H](CO)NC(=O)[C@H]1C N(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |
(8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide; methylergonovine |
| 26947 |  H8E |
2 | C34 H42 N6 O6 | InChI=1S/C34H42N6O6/c1-40 (27-17-9-4-10-18-27)39-30 (41)21-20-29(38-34(45)46- 24-26-15-7-3-8-16-26)32(4 3)37-28(19-11-12-22-35)31 (42)33(44)36-23-25-13-5-2 -6-14-25/h2-10,13-18,28-2 9H,11-12,19-24,35H2,1H3,( H,36,44)(H,37,43)(H,38,45 )(H,39,41)/t28-,29-/m0/s1; XDVSKHGOOXWVDB-VMPREFPWSA-N |
CN(NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N [C@@H](CCCCN)C(=O)C(=O)NCc2ccccc2)c3cccc c3; CN(c1ccccc1)NC(=O)CC[C@@H](C(=O)N[C@ @H](CCCCN)C(=O)C(=O)NCc2ccccc2)NC(=O)OCc 3ccccc3; CN(c1ccccc1)NC(=O)CCC(C(=O)NC(C CCCN)C(=O)C(=O)NCc2ccccc2)NC(=O)OCc3cccc c3; CN(NC(=O)CC[CH](NC(=O)OCc1ccccc1)C(= O)N[CH](CCCCN)C(=O)C(=O)NCc2ccccc2)c3ccc cc3 |
benzyl-N-[(2S)-1-[[(3S)-7-amino-1-(benzylamino)-1,2-dioxoheptan-3-yl]amino]-5-(2-methyl-2-phenylhydrazinyl)-1,5-dioxopentan-2-yl]carbamate |
| 26948 |  H8F CHEMBL1191888 ZINC000029221235 |
2 | C15 H25 N O | InChI=1S/C15H25NO/c1-14(2 ,3)10-7-12(15(4,5)6)11(9- 16)13(17)8-10/h7-8,17H,9, 16H2,1-6H3; ZUSLEOOZAITYGH-UHFFFAOYSA-N |
CC(C)(C)c1cc(c(c(c1)O)CN)C(C)(C)C; CC(C) (C)c1cc(O)c(CN)c(c1)C(C)(C)C |
2-(aminomethyl)-3,5-ditert-butyl-phenol |
| 26949 |  H8G CHEMBL157138 DB00589 ZINC000003831001 |
3 | C20 H26 N4 O | InChI=1S/C20H26N4O/c1-4-2 4(5-2)20(25)22-14-10-16-1 5-7-6-8-17-19(15)13(11-21 -17)9-18(16)23(3)12-14/h6 -8,10-11,14,18,21H,4-5,9, 12H2,1-3H3,(H,22,25)/t14- ,18+/m0/s1; BKRGVLQUQGGVSM-KBXCAEBGSA-N |
CCN(CC)C(=O)NC1CN(C2Cc3c[nH]c4c3c(ccc4)C 2=C1)C; CCN(CC)C(=O)N[C@@H]1CN([C@@H]2Cc 3c[nH]c4c3c(ccc4)C2=C1)C; CCN(CC)C(=O)NC 3C=C2c4cccc1c4c(cn1)CC2N(C)C3; CCN(CC)C( =O)N[CH]1CN(C)[CH]2Cc3c[nH]c4cccc(C2=C1) c34; CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3 c[nH]c4cccc(C2=C1)c34 |
N,N-diethyl-N'-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea; lisuride |
| 26950 |  H8H CHEMBL217092 DB11805 ZINC000024811973 |
10 | C27 H32 Cl N5 O5 | InChI=1S/C27H32ClN5O5/c1- 32-6-8-33(9-7-32)10-13-35 -19-14-21-24(23(15-19)38- 18-4-11-34-12-5-18)27(30- 16-29-21)31-25-20(28)2-3- 22-26(25)37-17-36-22/h2-3 ,14-16,18H,4-13,17H2,1H3, (H,29,30,31); OUKYUETWWIPKQR-UHFFFAOYSA-N |
CN1CCN(CCOc2cc(OC3CCOCC3)c4c(Nc5c(Cl)ccc 6OCOc56)ncnc4c2)CC1; Clc2ccc1OCOc1c2Nc6n cnc5c6c(OC3CCOCC3)cc(OCCN4CCN(C)CC4)c5; CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(nc n3)Nc5c(ccc6c5OCO6)Cl |
N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE; SARACATINIB |
| 26951 |  H8I CHEMBL2181246 ZINC000095579842 |
1 | C21 H16 Cl2 N2 O2 | InChI=1S/C21H16Cl2N2O2/c2 2-15-9-10-17(23)19(13-15) 27-20-16(7-3-11-24-20)21( 26)25-12-4-6-14-5-1-2-8-1 8(14)25/h1-3,5,7-11,13H,4 ,6,12H2; AUSHPRSBIDTALC-UHFFFAOYSA-N |
c1ccc2c(c1)CCCN2C(=O)c3cccnc3Oc4cc(ccc4C l)Cl; Clc1ccc(Cl)c(Oc2ncccc2C(=O)N3CCCc4 ccccc34)c1 |
[2-(2,5-Dichloro-phenoxy)-pyridin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)-methanone |
| 26952 |  H8J CHEMBL1065 ZINC000053151228 |
1 | C21 H27 N3 O2 | InChI=1S/C21H27N3O2/c1-4- 15(12-25)22-21(26)14-8-17 -16-6-5-7-18-20(16)13(10- 23(18)2)9-19(17)24(3)11-1 4/h5-8,10,14-15,19,25H,4, 9,11-12H2,1-3H3,(H,22,26) /t14-,15+,19-/m1/s1; KPJZHOPZRAFDTN-ZRGWGRIASA-N |
CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3cn( c4c3c(ccc4)C2=C1)C)C; CCC(CO)NC(=O)C1CN( C2Cc3cn(c4c3c(ccc4)C2=C1)C)C; CC[CH](CO) NC(=O)[CH]1CN(C)[CH]2Cc3cn(C)c4cccc(C2=C 1)c34; CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@ H]2Cc3cn(C)c4cccc(C2=C1)c34; CCC(CO)NC(= O)C3C=C2c4cccc1c4c(cn1C)CC2N(C)C3 |
(8alpha)-N-[(2S)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide; methysergide |
| 26953 |  H8K |
1 | C21 H23 N3 O2 | InChI=1S/C21H23N3O2/c25-1 7-4-2-16(3-5-17)22-11-13- 1-6-18-15(9-13)10-19-20(2 3-24-21(18)19)14-7-8-26-1 2-14/h1,6-9,12,16-17,22,2 5H,2-5,10-11H2,(H,23,24)/ t16-,17-; MQYHCTJCBXXBCX-QAQDUYKDSA-N |
n3c2c1ccc(cc1Cc2c(n3)c4ccoc4)CNC5CCC(O)C C5; c1cc-2c(cc1CNC3CCC(CC3)O)Cc4c2n[nH]c 4c5ccoc5; O[C@H]1CC[C@@H](CC1)NCc2ccc3c( Cc4c([nH]nc34)c5cocc5)c2; O[CH]1CC[CH](C C1)NCc2ccc3c(Cc4c([nH]nc34)c5cocc5)c2 |
trans-4-({[3-(furan-3-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-yl]methyl}amino)cyclohexanol |
| 26954 |  H8L |
8 | C20 H24 N2 O5 | InChI=1S/C20H24N2O5/c1-11 (2)10-27-20(24)17-13(4)21 -12(3)16(19(23)26-5)18(17 )14-8-6-7-9-15(14)22-25/h 6-9,11,22,25H,10H2,1-5H3; NBZLNKDNEUDWLT-UHFFFAOYSA-N |
Cc1c(c(c(c(n1)C)C(=O)OCC(C)C)c2ccccc2NO) C(=O)OC; COC(=O)c1c(C)nc(C)c(C(=O)OCC(C) C)c1c2ccccc2NO |
O3-methyl O5-(2-methylpropyl) 2,6-dimethyl-4-[2-(oxidanylamino)phenyl]pyridine-3,5-dicarboxylate |
| 26955 |  H8M ZINC000013756931 |
1 | C21 H23 Cl N2 O2 | InChI=1S/C21H23ClN2O2/c1- 12-4-6-16-15(10-12)14-8-9 -23-17(20(14)24-16)11-13- 5-7-18(25-2)21(26-3)19(13 )22/h4-7,10,17,23-24H,8-9 ,11H2,1-3H3/t17-/m0/s1; NJLHHCITDFZZSE-KRWDZBQOSA-N |
Cc1ccc2c(c1)c3c([nH]2)C(NCC3)Cc4ccc(c(c4 Cl)OC)OC; COc1ccc(C[C@@H]2NCCc3c2[nH]c4c cc(C)cc34)c(Cl)c1OC; COc4ccc(CC1c2c(CCN1 )c3cc(C)ccc3n2)c(c4OC)Cl; Cc1ccc2c(c1)c3 c([nH]2)[C@@H](NCC3)Cc4ccc(c(c4Cl)OC)OC; COc1ccc(C[CH]2NCCc3c2[nH]c4ccc(C)cc34)c (Cl)c1OC |
(1S)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-beta-carboline; LY266097 |
| 26956 |  H8N CHEMBL66381 ZINC000000388759 |
4 | C7 H5 N O | InChI=1S/C7H5NO/c8-5-6-1- 3-7(9)4-2-6/h1-4,9H; CVNOWLNNPYYEOH-UHFFFAOYSA-N |
N#Cc1ccc(cc1)O; Oc1ccc(cc1)C#N; c1cc(ccc 1C#N)O |
4-hydroxybenzonitrile |
| 26957 |  H8O CHEMBL411685 ZINC000003874185 |
1 | C17 H16 F6 N2 O | InChI=1S/C17H16F6N2O/c18- 16(19,20)11-5-3-4-9-10(15 (26)12-6-1-2-7-24-12)8-13 (17(21,22)23)25-14(9)11/h 3-5,8,12,15,24,26H,1-2,6- 7H2/t12-,15-/m0/s1; XEEQGYMUWCZPDN-WFASDCNBSA-N |
c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)C(C3 CCCCN3)O; O[C@H]([C@@H]1CCCCN1)c2cc(nc3c 2cccc3C(F)(F)F)C(F)(F)F; O[CH]([CH]1CCCC N1)c2cc(nc3c2cccc3C(F)(F)F)C(F)(F)F; c1c c2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)[C@@H]( [C@@H]3CCCCN3)O |
(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol |
| 26958 |  H8Q |
0 | C53 H67 N9 O10 S | InChI=1S/C53H67N9O10S/c1- 6-37-50(68)61-23-11-14-38 (61)51(69)59(5)40(26-32-1 6-18-36(19-17-32)58(3)4)5 2(70)62-28-35(30-73-43-29 -60-24-20-33(43)21-25-60) 42(64)27-39(62)47(65)57-4 5(34-12-8-7-9-13-34)53(71 )72-31(2)44(48(66)55-37)5 6-49(67)46-41(63)15-10-22 -54-46/h7-10,12-13,15-19, 22,31,33,35,37-40,43-45,6 3H,6,11,14,20-21,23-30H2, 1-5H3,(H,55,66)(H,56,67)( H,57,65)/t31-,35+,37+,38+ ,39-,40-,43+,44-,45-/m0/s 1; WTHRRGMBUAHGNI-QGNGWGIWSA-N |
CC[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N([C@H](C (=O)N3C[C@@H](C(=O)C[C@H]3C(=O)N[C@H](C( =O)O[C@H]([C@@H](C(=O)N1)NC(=O)c4c(cccn4 )O)C)c5ccccc5)CS[C@@H]6CN7CCC6CC7)Cc8ccc (cc8)N(C)C)C; CC[CH]1NC(=O)[CH](NC(=O)c2 ncccc2O)[CH](C)OC(=O)[CH](NC(=O)[CH]3CC( =O)[CH](CS[CH]4CN5CCC4CC5)CN3C(=O)[CH](C c6ccc(cc6)N(C)C)N(C)C(=O)[CH]7CCCN7C1=O) c8ccccc8; CCC1C(=O)N2CCCC2C(=O)N(C(C(=O) N3CC(C(=O)CC3C(=O)NC(C(=O)OC(C(C(=O)N1)N C(=O)c4c(cccn4)O)C)c5ccccc5)CSC6CN7CCC6C C7)Cc8ccc(cc8)N(C)C)C; CC[C@H]1NC(=O)[C@ @H](NC(=O)c2ncccc2O)[C@H](C)OC(=O)[C@@H] (NC(=O)[C@@H]3CC(=O)[C@@H](CS[C@@H]4CN5C CC4CC5)CN3C(=O)[C@H](Cc6ccc(cc6)N(C)C)N( C)C(=O)[C@H]7CCCN7C1=O)c8ccccc8 |
~{N}-[(3~{S},6~{R},12~{R},15~{S},16~{S},19~{S},22~{S},25~{S})-25-[[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]sulfanylmethyl]-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptakis(oxidanylidene)-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-oxidanyl-pyridine-2-carboxamide; quinupristin |
| 26959 |  H8R CHEMBL4743677 |
1 | C20 H31 N O4 | InChI=1S/C20H31NO4/c1-4-5 -6-7-8-9-14-25-17-12-10-1 6(11-13-17)19(22)21-18(15 (2)3)20(23)24/h10-13,15,1 8H,4-9,14H2,1-3H3,(H,21,2 2)(H,23,24)/t18-/m0/s1; JIIPBCFIUGBDHZ-SFHVURJKSA-N |
CCCCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C( O)=O; CCCCCCCCOc1ccc(cc1)C(=O)NC(C(C)C)C (=O)O; CCCCCCCCOc1ccc(cc1)C(=O)N[CH](C(C )C)C(O)=O; CCCCCCCCOc1ccc(cc1)C(=O)N[C@@ H](C(C)C)C(=O)O |
(2~{S})-3-methyl-2-[(4-octoxyphenyl)carbonylamino]butanoic acid |
| 26960 |  H8S |
2 | C28 H42 N4 O3 S | InChI=1S/C28H42N4O3S/c1-6 -25(33)30-22(15-26-31-21- 13-12-20(17(2)3)14-24(21) 36-26)28(35)32-23(16-29-2 7(34)18(4)5)19-10-8-7-9-1 1-19/h12-14,17-19,22-23H, 6-11,15-16H2,1-5H3,(H,29, 34)(H,30,33)(H,32,35)/t22 -,23+/m0/s1; NIZDKPYPZUWWHC-XZOQPEGZSA-N |
CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(= O)N[C@H](CNC(=O)C(C)C)C3CCCCC3; CCC(=O)N C(Cc1nc2ccc(cc2s1)C(C)C)C(=O)NC(CNC(=O)C (C)C)C3CCCCC3; CCC(=O)N[CH](Cc1sc2cc(ccc 2n1)C(C)C)C(=O)N[CH](CNC(=O)C(C)C)C3CCCC C3; CCC(=O)N[C@@H](Cc1sc2cc(ccc2n1)C(C)C )C(=O)N[C@H](CNC(=O)C(C)C)C3CCCCC3; C(c1 ccc3c(c1)sc(CC(NC(=O)CC)C(NC(C2CCCCC2)CN C(=O)C(C)C)=O)n3)(C)C |
N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide |
| 26961 |  H8T |
0 | C28 H33 N3 O7 | InChI=1S/C28H33N3O7/c1-17 (2)26-19(4)9-10-24(34)29- 11-5-7-18(3)13-20(32)14-2 1(33)15-25-30-22(16-37-25 )27(35)31-12-6-8-23(31)28 (36)38-26/h5-10,12-13,16- 17,19-20,26,32H,11,14-15H 2,1-4H3,(H,29,34)/b7-5+,1 0-9+,18-13+/t19-,20-,26-/ m1/s1; CNTGCXRBDCXZRN-FQTGFAPKSA-N |
C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(= O)Cc2nc(co2)C(=O)n3cccc3C(=O)O[C@@H]1C(C )C)O)/C; CC1C=CC(=O)NCC=CC(=CC(CC(=O)Cc2 nc(co2)C(=O)n3cccc3C(=O)OC1C(C)C)O)C; CC (C)[CH]1OC(=O)c2cccn2C(=O)c3coc(CC(=O)C[ CH](O)C=C(C)C=CCNC(=O)C=C[CH]1C)n3; CC(C )[C@H]1OC(=O)c2cccn2C(=O)c3coc(CC(=O)C[C @H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C@H]1C)n3 |
Virginiamycin M |
| 26962 |  H8U ZINC000014637263 |
10 | C28 H35 N3 O5 | InChI=1S/C28H35N3O5/c1-23 (2)10-12-35-20-17(36-23)8 -7-16-19(20)29-21(32)27(1 6)14-26-15-31-11-9-25(5,3 4)28(31,22(33)30(26)6)13- 18(26)24(27,3)4/h7-8,10,1 2,18,34H,9,11,13-15H2,1-6 H3,(H,29,32)/t18-,25+,26+ ,27+,28-/m0/s1; UVZZDDLIOJPDKX-ITKQZBBDSA-N |
CN1C(=O)[C]23C[CH]4C(C)(C)[C]5(C[C]14CN2 CC[C]3(C)O)C(=O)Nc6c7OC=CC(C)(C)Oc7ccc56 ; CC1(C=COc2c(ccc3c2NC(=O)C34CC56CN7CCC( C7(CC5C4(C)C)C(=O)N6C)(C)O)O1)C; C[C@]1( CCN2[C@]13C[C@@H]4[C@](C2)(C[C@@]5(C4(C) C)c6ccc7c(c6NC5=O)OC=CC(O7)(C)C)N(C3=O)C )O; CN1C(=O)[C@]23C[C@H]4C(C)(C)[C@@]5(C [C@]14CN2CC[C@@]3(C)O)C(=O)Nc6c7OC=CC(C) (C)Oc7ccc56 |
Paraherquamide A |
| 26963 |  H8V |
1 | C33 H51 N5 O4 S | InChI=1S/C33H51N5O4S/c1-5 -30(39)35-27(20-31-36-26- 12-11-25(22(2)3)19-29(26) 43-31)33(41)37-28(24-9-7- 6-8-10-24)21-34-32(40)23( 4)13-14-38-15-17-42-18-16 -38/h11-12,19,22-24,27-28 H,5-10,13-18,20-21H2,1-4H 3,(H,34,40)(H,35,39)(H,37 ,41)/t23-,27+,28-/m1/s1; IHTCRVFPLWRGCT-KEKPKEOLSA-N |
CCC(=O)N[CH](Cc1sc2cc(ccc2n1)C(C)C)C(=O) N[CH](CNC(=O)[CH](C)CCN3CCOCC3)C4CCCCC4; CCC(=O)N[C@@H](Cc1sc2cc(ccc2n1)C(C)C)C( =O)N[C@H](CNC(=O)[C@H](C)CCN3CCOCC3)C4CC CCC4; CCC(=O)NC(Cc1nc2ccc(cc2s1)C(C)C)C( =O)NC(CNC(=O)C(C)CCN3CCOCC3)C4CCCCC4; CC (c3ccc4nc(CC(NC(=O)CC)C(NC(C1CCCCC1)CNC( =O)C(CCN2CCOCC2)C)=O)sc4c3)C; CCC(=O)N[C @@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](C NC(=O)[C@H](C)CCN3CCOCC3)C4CCCCC4 |
(2R)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-2-methyl-4-(morpholin-4-yl)butanamide |
| 26964 |  H8W |
1 | C23 H27 N3 O2 | InChI=1S/C23H27N3O2/c1-15 (2)14-26-12-11-18-19(8-9- 21-20(18)13-24-25-21)23(2 6)17-6-3-16(4-7-17)5-10-2 2(27)28/h3-4,6-9,13,15,23 H,5,10-12,14H2,1-2H3,(H,2 4,25)(H,27,28)/t23-/m1/s1; PXIRDOQOUCTDMZ-HSZRJFAPSA-N |
CC(C)CN1CCc2c(ccc3c2cn[nH]3)[C@H]1c4ccc( cc4)CCC(=O)O; CC(C)CN1CCc2c(ccc3c2cn[nH] 3)C1c4ccc(cc4)CCC(=O)O; CC(C)CN1CCc2c(cc c3[nH]ncc23)[C@H]1c4ccc(CCC(O)=O)cc4; CC (C)CN1CCc2c(ccc3[nH]ncc23)[CH]1c4ccc(CCC (O)=O)cc4 |
3-[4-[(6~{R})-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]propanoic acid |
| 26965 |  H8X ZINC000001213348 |
3 | C21 H22 N2 O4 S | InChI=1S/C21H22N2O4S/c1-2 8(25,26)22(15-17-7-6-12-2 7-17)13-16(24)14-23-20-10 -4-2-8-18(20)19-9-3-5-11- 21(19)23/h2-12,16,24H,13- 15H2,1H3/t16-/m0/s1; OQAFDLPAPSSOHY-INIZCTEOSA-N |
C[S](=O)(=O)N(C[C@H](O)Cn1c2ccccc2c3cccc c13)Cc4occc4; CS(=O)(=O)N(Cc1ccco1)CC(Cn 2c3ccccc3c4c2cccc4)O; CS(=O)(=O)N(Cc1ccc o1)C[C@@H](Cn2c3ccccc3c4c2cccc4)O; C[S]( =O)(=O)N(C[CH](O)Cn1c2ccccc2c3ccccc13)Cc 4occc4 |
N-[(2R)-3-carbazol-9-yl-2-oxidanyl-propyl]-N-(furan-2-ylmethyl)methanesulfonamide |
| 26966 |  H8Z CHEMBL4071151 |
1 | C15 H16 N6 O | InChI=1S/C15H16N6O/c1-3-1 1-13-14(16)17-9-18-15(13) 21(19-11)10-6-5-7-20(8-10 )12(22)4-2/h1,4,9-10H,2,5 -8H2,(H2,16,17,18)/t10-/m 1/s1; XXFDMGXYEIKFNZ-SNVBAGLBSA-N |
Nc1ncnc2n(nc(C#C)c12)[C@@H]3CCCN(C3)C(=O )C=C; C=CC(=O)N1CCCC(C1)n2c3c(c(n2)C#C)c (ncn3)N; Nc1ncnc2n(nc(C#C)c12)[CH]3CCCN( C3)C(=O)C=C; C=CC(=O)N1CCC[C@H](C1)n2c3c (c(n2)C#C)c(ncn3)N |
1-[(3~{R})-3-(4-azanyl-3-ethynyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one |
| 26967 |  H90 CHEMBL2324558 ZINC000095585710 |
2 | C26 H18 N4 O3 | InChI=1S/C26H18N4O3/c31-2 4(19-4-2-1-3-5-19)20-8-6- 18(7-9-20)23-14-21(26(32) 33)22-15-28-30(25(22)29-2 3)16-17-10-12-27-13-11-17 /h1-15H,16H2,(H,32,33); PTCVSDDJAQNAKH-UHFFFAOYSA-N |
c1ccc(cc1)C(=O)c2ccc(cc2)c3cc(c4cnn(c4n3 )Cc5ccncc5)C(=O)O; OC(=O)c1cc(nc2n(Cc3cc ncc3)ncc12)c4ccc(cc4)C(=O)c5ccccc5; O=C( O)c1cc(nc2c1cnn2Cc3ccncc3)c5ccc(C(=O)c4c cccc4)cc5 |
6-(4-benzoylphenyl)-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| 26968 |  H91 |
1 | C26 H28 Cl2 N4 O2 | InChI=1S/C26H28Cl2N4O2/c1 -31(2)14-15-3-6-19(7-4-15 )32-24-18(13-30-26(32)34) 12-29-23-8-5-16(9-20(23)2 4)17-10-21(27)25(33)22(28 )11-17/h5,8-12,15,19,33H, 3-4,6-7,13-14H2,1-2H3,(H, 30,34)/t15-,19-; FUVRHGKKWNNBJX-RHDGDCLCSA-N |
CN(C)CC1CCC(CC1)N2c3c4cc(ccc4ncc3CNC2=O) c5cc(c(c(c5)Cl)O)Cl; N(C)(CC5CCC(N1c3c(C NC1=O)cnc2ccc(cc23)c4cc(c(c(c4)Cl)O)Cl)C C5)C; CN(C)C[C@H]1CC[C@@H](CC1)N2C(=O)NC c3cnc4ccc(cc4c23)c5cc(Cl)c(O)c(Cl)c5; CN (C)C[CH]1CC[CH](CC1)N2C(=O)NCc3cnc4ccc(c c4c23)c5cc(Cl)c(O)c(Cl)c5 |
9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3,4-dihydropyrimido[5,4-c]quinolin-2(1H)-one |
| 26969 |  H92 |
20 | C18 H18 F N3 O | InChI=1S/C18H18FN3O/c19-1 7-15(10-1-3-11(4-2-10)18( 20)23)7-12(9-21-17)14-8-1 3-5-6-16(14)22-13/h1-4,7, 9,13-14,16,22H,5-6,8H2,(H 2,20,23)/t13-,14+,16+/m0/ s1; QGEMISSKSNIODJ-SQWLQELKSA-N |
c1cc(ccc1c2cc(cnc2F)C3CC4CCC3N4)C(=O)N; c1cc(ccc1c2cc(cnc2F)[C@H]3C[C@@H]4CC[C@H ]3N4)C(=O)N; NC(=O)c1ccc(cc1)c2cc(cnc2F) [CH]3C[CH]4CC[CH]3N4; NC(=O)c1ccc(cc1)c2 cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4 |
4-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]benzamide |
| 26970 |  H93 CHEMBL3246759 ZINC000005344125 |
2 | C11 H15 N5 O5 | InChI=1S/C11H15N5O5/c1-15 -9(20)5-8(14-11(15)12)16( 3-13-5)10-7(19)6(18)4(2-1 7)21-10/h3-4,6-7,10,17-19 H,2H2,1H3,(H2,12,14)/t4-, 6-,7-,10-/m1/s1; UTAIYTHAJQNQDW-KQYNXXCUSA-N |
CN1C(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C @H](O3)CO)O)O)N=C1N; CN1C(=Nc2n(cnc2C1=O )[CH]3O[CH](CO)[CH](O)[CH]3O)N; CN1C(=O) c2c(n(cn2)C3C(C(C(O3)CO)O)O)N=C1N; CN1C( =Nc2n(cnc2C1=O)[C@@H]3O[C@H](CO)[C@@H](O )[C@H]3O)N |
2-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-purin-6-one |
| 26971 |  H94 |
3 | C19 H16 F6 N6 O2 | InChI=1S/C19H16F6N6O2/c20 -18(21,22)11-5-12(27-8-10 (11)7-26)31-3-1-9(2-4-31) 15-14-16(30-29-15)28-13(3 2)6-17(14,33)19(23,24)25/ h5,8-9,33H,1-4,6H2,(H2,28 ,29,30,32)/t17-/m1/s1; VTEXGUOJJDWHCA-QGZVFWFLSA-N |
c1c(c(cnc1N2CCC(CC2)c3c4c(n[nH]3)NC(=O)C C4(C(F)(F)F)O)C#N)C(F)(F)F; O[C@@]1(CC(= O)Nc2n[nH]c(C3CCN(CC3)c4cc(c(cn4)C#N)C(F )(F)F)c12)C(F)(F)F; c1c(c(cnc1N2CCC(CC2) c3c4c(n[nH]3)NC(=O)C[C@@]4(C(F)(F)F)O)C# N)C(F)(F)F; O[C]1(CC(=O)Nc2n[nH]c(C3CCN( CC3)c4cc(c(cn4)C#N)C(F)(F)F)c12)C(F)(F)F ; c3(C1CCN(CC1)c2cc(C(F)(F)F)c(C#N)cn2)n nc4c3C(C(F)(F)F)(O)CC(N4)=O |
6-{4-[(4R)-4-hydroxy-6-oxo-4-(trifluoromethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl}-4-(trifluoromethyl)pyridine-3-carbonitrile |
| 26972 |  H95 ZINC000012359064 |
1 | C6 H14 O2 | InChI=1S/C6H14O2/c1-5(7)3 -4-6(2)8/h5-8H,3-4H2,1-2H 3/t5-,6+; OHMBHFSEKCCCBW-OLQVQODUSA-N |
CC(CCC(C)O)O; C[C@H](CC[C@H](C)O)O; C[CH ](O)CC[CH](C)O; C[C@H](O)CC[C@@H](C)O |
(2~{S},5~{R})-hexane-2,5-diol |
| 26973 |  H96 |
1 | C21 H24 N2 O3 S | InChI=1S/C21H24N2O3S/c1-2 5-15-3-4-19-17(8-15)21(27 -12-13-5-6-22-10-13)18-9- 16(26-2)7-14(11-24)20(18) 23-19/h3-4,7-9,13,22,24H, 5-6,10-12H2,1-2H3/t13-/m1 /s1; PBGPFWACZLCJFH-CYBMUJFWSA-N |
COc1ccc2nc3c(CO)cc(OC)cc3c(SC[CH]4CCNC4) c2c1; COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC) SC[C@@H]4CCNC4; COc1ccc2nc3c(CO)cc(OC)cc 3c(SC[C@@H]4CCNC4)c2c1; COc1ccc2c(c1)c(c 3cc(cc(c3n2)CO)OC)SCC4CCNC4 |
[2,7-dimethoxy-9-[[(3R)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol |
| 26974 |  H97 CHEMBL1738811 ZINC000066156873 |
2 | C31 H44 F6 O4 | InChI=1S/C31H44F6O4/c1-27 (2,40)14-4-7-21(9-6-16-29 (41,30(32,33)34)31(35,36) 37)25-12-13-26-22(8-5-15- 28(25,26)3)11-10-20-17-23 (38)19-24(39)18-20/h10-11 ,21,23-26,38-41H,4-5,7-9, 12-15,17-19H2,1-3H3/b22-1 1+/t21-,23-,24-,25-,26+,2 8-/m1/s1; RAYDHJNMFBHXHA-DUSBBPLISA-N |
FC(F)(F)C(O)(C#CCC(CCCC(O)(C)C)C2CCC3C(= C\C=C1\CC(O)CC(O)C1)\CCCC23C)C(F)(F)F; C C(C)(O)CCC[CH](CC#CC(O)(C(F)(F)F)C(F)(F) F)[CH]1CC[CH]2C(CCC[C]12C)=C[CH]=[C]3C[C H](O)[CH2][CH](O)C3; CC(C)(O)CCC[C@H](CC #CC(O)(C(F)(F)F)C(F)(F)F)[C@H]1CC[C@H]2C (/CCC[C@]12C)=C/[CH]=[C]3C[C@@H](O)[CH2] [C@H](O)C3; CC12CCCC(=CC=C3CC(CC(C3)O)O) C1CCC2C(CCCC(C)(C)O)CC#CC(C(F)(F)F)(C(F) (F)F)O; C[C@]12CCC/C(=C\C=C3C[C@H](C[C@@ H](C3)O)O)/[C@@H]1CC[C@@H]2[C@H](CCCC(C) (C)O)CC#CC(C(F)(F)F)(C(F)(F)F)O |
(1R,3R,7E,17beta)-17-[(1R)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,1 0-secoestra-5,7-diene-1,3-diol; 1,25-dihydroxy-20R-21(3-trideuteromethyl-3-hydroxy-4,4,4-trideuterobutyl)-23-yne-26,27-hexafluoro-19-nor-cholecalcifero l (Gemini--0097) |
| 26975 |  H98 CHEMBL1363 DB01274 ZINC000002599970 |
5 | C19 H24 N2 O4 | InChI=1S/C19H24N2O4/c1-13 (9-14-3-6-16(25-2)7-4-14) 20-11-19(24)15-5-8-18(23) 17(10-15)21-12-22/h3-8,10 ,12-13,19-20,23-24H,9,11H 2,1-2H3,(H,21,22)/t13-,19 +/m1/s1; BPZSYCZIITTYBL-YJYMSZOUSA-N |
CC(Cc1ccc(cc1)OC)NCC(c2ccc(c(c2)NC=O)O)O ; C[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c( c2)NC=O)O)O; COc1ccc(C[CH](C)NC[CH](O)c2 ccc(O)c(NC=O)c2)cc1; COc1ccc(C[C@@H](C)N C[C@H](O)c2ccc(O)c(NC=O)c2)cc1 |
~{N}-[5-[(1~{R})-2-[[(2~{R})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide |
| 26976 |  H99 |
1 | C22 H24 F2 N2 O2 S | InChI=1S/C22H24F2N2O2S/c1 -27-14-3-4-19-16(9-14)21( 29-12-13-5-7-25-8-6-13)17 -10-15(28-2)11-18(22(23)2 4)20(17)26-19/h3-4,9-11,1 3,22,25H,5-8,12H2,1-2H3; SGQDLYHYSRLRJV-UHFFFAOYSA-N |
COc1ccc2nc3c(cc(OC)cc3c(SCC4CCNCC4)c2c1) C(F)F; COc1ccc2c(c1)c(c3cc(cc(c3n2)C(F)F )OC)SCC4CCNCC4 |
4-[bis(fluoranyl)methyl]-2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine |
| 26977 |  H9A |
2 | C5 H13 O3 P | InChI=1S/C5H13O3P/c1-4-9( 6,7)8-5(2)3/h5H,4H2,1-3H3 ,(H,6,7); QSYAHOJZVYVHEY-UHFFFAOYSA-N |
CC[P](O)(=O)OC(C)C; P(OC(C)C)(O)(=O)CC; CCP(=O)(O)OC(C)C |
propan-2-yl hydrogen (R)-ethylphosphonate |
| 26978 |  H9B |
2 | C21 H24 F3 N3 O | InChI=1S/C21H24F3N3O/c1-2 -18(26)19(28)27-20(12-25) 11-17(20)15-5-3-13(4-6-15 )14-7-9-16(10-8-14)21(22, 23)24/h3-10,17-18H,2,11-1 2,25-26H2,1H3,(H,27,28)/t 17-,18+,20+/m1/s1; HMCDKUBGFVFWGK-HBFSDRIKSA-N |
CC[CH](N)C(=O)N[C]1(CN)C[CH]1c2ccc(cc2)c 3ccc(cc3)C(F)(F)F; CCC(C(=O)NC1(CC1c2ccc (cc2)c3ccc(cc3)C(F)(F)F)CN)N; CC[C@@H](C (=O)N[C@@]1(C[C@@H]1c2ccc(cc2)c3ccc(cc3) C(F)(F)F)CN)N; CC[C@H](N)C(=O)N[C@]1(CN) C[C@@H]1c2ccc(cc2)c3ccc(cc3)C(F)(F)F |
(2~{S})-~{N}-[(1~{R},2~{R})-1-(aminomethyl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]-2-azanyl-butanamide |
| 26979 |  H9C |
0 | C24 H16 N4 Pt | InChI=1S/2C12H8N2.Pt/c2*1 -3-9-5-6-10-4-2-8-14-12(1 0)11(9)13-7-1;/h2*1-8H;; PMTHRTGZYZUPOQ-UHFFFAOYSA-N |
c1cc2c3c4c1C=CC=[N]4[Pt]5([N]3=CC=C2)[N] 6=C7C(=CC=C6)C=CC8=C7[N]5=CC=C8; [Pt].c1 cnc2c(c1)ccc3cccnc23.c4cnc5c(c4)ccc6cccn c56 |
Bis(1,10-phenanthroline)platinum(II) |
| 26980 |  H9D |
1 | C22 H29 N11 O7 | InChI=1S/C22H29N11O7/c23- 17-11-19(28-5-26-17)32(7- 30-11)21-15(37)13(35)9(39 -21)3-24-1-2-25-18-12-20( 29-6-27-18)33(8-31-12)22- 16(38)14(36)10(4-34)40-22 /h5-10,13-16,21-22,24,34- 38H,1-4H2,(H2,23,26,28)(H ,25,27,29); KXVQIOSAWUIUMH-UHFFFAOYSA-N |
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CNCCNc4c5c( ncn4)n(cn5)C6C(C(C(O6)CO)O)O)O)O)N; Nc1n cnc2n(cnc12)[C@@H]3O[C@H](CNCCNc4ncnc5n( cnc45)[C@@H]6O[C@@H](CO)[C@@H](O)[C@H]6O )[C@@H](O)[C@H]3O; c1nc(c2c(n1)n(cn2)[C@ H]3[C@@H]([C@@H]([C@H](O3)CNCCNc4c5c(ncn 4)n(cn5)[C@H]6[C@@H]([C@@H]([C@@H](O6)CO )O)O)O)O)N; Nc1ncnc2n(cnc12)[CH]3O[CH](C NCCNc4ncnc5n(cnc45)[CH]6O[CH](CO)[CH](O) [CH]6O)[CH](O)[CH]3O |
(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[2-[[9-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]methyl]oxolane-3,4-diol |
| 26981 |  H9E |
2 | C9 H9 B Br O3 S | InChI=1S/C9H9BBrO3S/c11-5 -6-1-2-8-7(3-6)4-9(15-8)1 0(12,13)14/h1-4,12-14H,5H 2/q-1; YBCAXTUNRJBXIK-UHFFFAOYSA-N |
O[B-](O)(O)c1sc2ccc(CBr)cc2c1; [B-](c1cc 2cc(ccc2s1)CBr)(O)(O)O |
[5-(bromomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide |
| 26982 |  H9F CHEMBL932 DB00975 ZINC000000643046 |
5 | C24 H40 N8 O4 | InChI=1S/C24H40N8O4/c33-1 5-11-31(12-16-34)23-26-20 -19(21(27-23)29-7-3-1-4-8 -29)25-24(32(13-17-35)14- 18-36)28-22(20)30-9-5-2-6 -10-30/h33-36H,1-18H2; IZEKFCXSFNUWAM-UHFFFAOYSA-N |
OCCN(CCO)c1nc(N2CCCCC2)c3nc(nc(N4CCCCC4) c3n1)N(CCO)CCO; C1CCN(CC1)c2c3c(c(nc(n3) N(CCO)CCO)N4CCCCC4)nc(n2)N(CCO)CCO |
2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol |
| 26983 |  H9G |
1 | C18 H16 N8 O2 | InChI=1S/C18H16N8O2/c1-8- 7-27-15-13(8)12(6-11-14(1 5)16(19)22-18(20)21-11)28 -10-4-2-3-9(5-10)17-23-25 -26-24-17/h2-6,8H,7H2,1H3 ,(H4,19,20,21,22)(H,23,24 ,25,26)/t8-/m0/s1; HXCFGIFBIXRFOX-QMMMGPOBSA-N |
C[CH]1COc2c1c(Oc3cccc(c3)c4[nH]nnn4)cc5n c(N)nc(N)c25; c1(cccc(c1)c2nnnn2)Oc5c3c( OCC3C)c4c(N)nc(nc4c5)N; C[C@H]1COc2c1c(c c3c2c(nc(n3)N)N)Oc4cccc(c4)c5[nH]nnn5; C [C@H]1COc2c1c(Oc3cccc(c3)c4[nH]nnn4)cc5n c(N)nc(N)c25; CC1COc2c1c(cc3c2c(nc(n3)N) N)Oc4cccc(c4)c5[nH]nnn5 |
(3R)-3-methyl-4-[3-(1H-tetrazol-5-yl)phenoxy]-2,3-dihydrofuro[2,3-f]quinazoline-7,9-diamine |
| 26984 |  H9H |
3 | C28 H35 N5 O3 S | InChI=1S/C28H35N5O3S/c1-3 2-15-17-33(18-16-32)37(35 ,36)24-11-9-22(10-12-24)2 1-5-7-23(8-6-21)25-19-28( 25,20-29)31-26(34)27(30)1 3-3-2-4-14-27/h5-12,25H,2 -4,13-19,30H2,1H3,(H,31,3 4)/t25-,28+/m1/s1; SWZRIDKYXBZXMW-NAKRPHOHSA-N |
CN1CCN(CC1)[S](=O)(=O)c2ccc(cc2)c3ccc(cc 3)[CH]4C[C]4(NC(=O)C5(N)CCCCC5)C#N; CN1C CN(CC1)[S](=O)(=O)c2ccc(cc2)c3ccc(cc3)[C @H]4C[C@]4(NC(=O)C5(N)CCCCC5)C#N; CN1CCN (CC1)S(=O)(=O)c2ccc(cc2)c3ccc(cc3)C4CC4( C#N)NC(=O)C5(CCCCC5)N; CN1CCN(CC1)S(=O)( =O)c2ccc(cc2)c3ccc(cc3)[C@H]4C[C@@]4(C#N )NC(=O)C5(CCCCC5)N |
1-azanyl-~{N}-[(1~{R},2~{R})-1-cyano-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]cyclohexane-1-carboxamide |
| 26985 |  H9I |
1 | C20 H26 N4 O5 | InChI=1S/C20H26N4O5/c1-2- 14-17(18(21)24-19(22)23-1 4)29-12-20(9-27-10-20)11- 28-15-6-4-3-5-13(15)7-8-1 6(25)26/h3-6H,2,7-12H2,1H 3,(H,25,26)(H4,21,22,23,2 4); RCIRFPIVZRLWFR-UHFFFAOYSA-N |
CCc1nc(N)nc(N)c1OCC2(COC2)COc3ccccc3CCC( O)=O; CCc1c(c(nc(n1)N)N)OCC2(COC2)COc3cc ccc3CCC(=O)O; O=C(O)CCc1ccccc1OCC1(COc2c (N)nc(N)nc2CC)COC1 |
3-{2-[(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}oxetan-3-yl)methoxy]phenyl}propanoic acid |
| 26986 |  H9J |
2 | C9 H14 F3 N O6 | InChI=1S/C9H14F3NO6/c10-9 (11,12)8(19)13-3-6(17)4(1 5)2(1-14)5(16)7(3)18/h2-7 ,14-18H,1H2,(H,13,19)/t2- ,3-,4-,5-,6-,7-/m1/s1; RPAYCNWWSJECNN-ZGGPPPIHSA-N |
C(C1C(C(C(C(C1O)O)NC(=O)C(F)(F)F)O)O)O; OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](NC(=O)C (F)(F)F)[C@@H](O)[C@@H]1O; OC[CH]1[CH](O )[CH](O)[CH](NC(=O)C(F)(F)F)[CH](O)[CH]1 O; C1(C(C(C(C(C1NC(C(F)(F)F)=O)O)O)CO)O) O; C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)N C(=O)C(F)(F)F)O)O)O |
2,2,2-trifluoro-N-[(1R,2R,3R,4R,5R,6R)-2,3,5,6-tetrahydroxy-4-(hydroxymethyl)cyclohexyl]acetamide |
| 26987 |  H9K CHEMBL391449 ZINC000028822258 |
1 | C22 H16 N2 O2 | InChI=1S/C22H16N2O2/c25-1 7-7-5-14(6-8-17)13-1-3-15 (4-2-13)21-20-12-16-11-18 (26)9-10-19(16)22(20)24-2 3-21/h1-11,25-26H,12H2,(H ,23,24); YHNRFNJYCLUDHD-UHFFFAOYSA-N |
c1cc(ccc1c2ccc(cc2)O)c3c4c(n[nH]3)-c5ccc (cc5C4)O; Oc1ccc(cc1)c2ccc(cc2)c3c5c(nn3 )c4ccc(O)cc4C5; Oc1ccc(cc1)c2ccc(cc2)c3[ nH]nc4c3Cc5cc(O)ccc45 |
3-(4'-hydroxybiphenyl-4-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-ol |
| 26988 |  H9L |
4 | C5 H10 O3 S | InChI=1S/C5H10O3S/c1-9-3- 2-4(6)5(7)8/h4,6H,2-3H2,1 H3,(H,7,8); ONFOSYPQQXJWGS-UHFFFAOYSA-N |
CSCC[C@@H](O)C(O)=O; CSCC[CH](O)C(O)=O; CSCCC(C(=O)O)O |
4-methylsulfanyl-2-oxidanyl-butanoic acid |
| 26989 |  H9M |
1 | C31 H49 N5 O3 S | InChI=1S/C31H49N5O3S/c1-7 -28(37)33-25(18-29-34-24- 14-13-23(20(2)3)17-27(24) 40-29)31(39)35-26(22-11-9 -8-10-12-22)19-32-30(38)2 1(4)15-16-36(5)6/h13-14,1 7,20-22,25-26H,7-12,15-16 ,18-19H2,1-6H3,(H,32,38)( H,33,37)(H,35,39)/t21-,25 -,26+/m0/s1; JOVHNLOAONWRGQ-OUIFVKKZSA-N |
CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(= O)N[C@H](CNC(=O)[C@@H](C)CCN(C)C)C3CCCCC 3; CCC(=O)NC(Cc1nc2ccc(cc2s1)C(C)C)C(=O) NC(CNC(=O)C(C)CCN(C)C)C3CCCCC3; CCC(=O)N [CH](Cc1sc2cc(ccc2n1)C(C)C)C(=O)N[CH](CN C(=O)[CH](C)CCN(C)C)C3CCCCC3; CCC(=O)N[C @@H](Cc1sc2cc(ccc2n1)C(C)C)C(=O)N[C@H](C NC(=O)[C@@H](C)CCN(C)C)C3CCCCC3; s1c(nc2 c1cc(cc2)C(C)C)CC(C(=O)NC(C3CCCCC3)CNC(= O)C(CCN(C)C)C)NC(=O)CC |
(2S)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(dimethylamino)-2-methylbutanamide |
| 26990 |  H9O |
4 | C10 H9 B O4 | InChI=1S/C10H9BO4/c1-6(10 (12)13)9-7-4-2-3-5-8(7)11 (14)15-9/h2-5,9,14H,1H2,( H,12,13)/t9-/m0/s1; BRBGRVSFRVLGNY-VIFPVBQESA-N |
B1(c2ccccc2C(O1)C(=C)C(=O)O)O; OB1O[C@@H ](C(=C)C(O)=O)c2ccccc12; B1(c2ccccc2[C@@ H](O1)C(=C)C(=O)O)O; OB1O[CH](C(=C)C(O)= O)c2ccccc12 |
2-[(3R)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid |
| 26991 |  H9P |
1 | C31 H44 N6 O3 S | InChI=1S/C31H44N6O3S/c1-5 -28(38)34-25(16-29-35-24- 12-11-23(20(2)3)15-27(24) 41-29)31(40)36-26(22-9-7- 6-8-10-22)17-33-30(39)21( 4)18-37-14-13-32-19-37/h1 1-15,19-22,25-26H,5-10,16 -18H2,1-4H3,(H,33,39)(H,3 4,38)(H,36,40)/t21-,25-,2 6+/m0/s1; SJDWTXOIFWWWBR-OUIFVKKZSA-N |
CCC(=O)N[C@@H](Cc1sc2cc(ccc2n1)C(C)C)C(= O)N[C@H](CNC(=O)[C@@H](C)Cn3ccnc3)C4CCCC C4; CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C )C(=O)N[C@H](CNC(=O)[C@@H](C)Cn3ccnc3)C4 CCCCC4; CCC(=O)N[CH](Cc1sc2cc(ccc2n1)C(C )C)C(=O)N[CH](CNC(=O)[CH](C)Cn3ccnc3)C4C CCCC4; CCC(=O)NC(Cc1nc2ccc(cc2s1)C(C)C)C (=O)NC(CNC(=O)C(C)Cn3ccnc3)C4CCCCC4; O=C (C(NC(CC)=O)Cc1nc2c(s1)cc(cc2)C(C)C)NC(C 3CCCCC3)CNC(C(C)Cn4cncc4)=O |
N-[(1S)-1-cyclohexyl-2-{[(2S)-3-(1H-imidazol-1-yl)-2-methylpropanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide |
| 26992 |  H9R CHEMBL239559 ZINC000004349262 |
4 | C21 H20 O11 | InChI=1S/C21H20O11/c22-6- 14-17(27)19(29)20(30)21(3 2-14)16-11(26)5-13-15(18( 16)28)10(25)4-12(31-13)7- 1-2-8(23)9(24)3-7/h1-5,14 ,17,19-24,26-30H,6H2/t14- ,17-,19+,20-,21+/m1/s1; ODBRNZZJSYPIDI-VJXVFPJBSA-N |
c1cc(c(cc1C2=CC(=O)c3c(cc(c(c3O)C4C(C(C( C(O4)CO)O)O)O)O)O2)O)O; c1cc(c(cc1C2=CC( =O)c3c(cc(c(c3O)[C@H]4[C@@H]([C@H]([C@@H ]([C@H](O4)CO)O)O)O)O)O2)O)O; OC[CH]1O[C H]([CH](O)[CH](O)[CH]1O)c2c(O)cc3OC(=CC( =O)c3c2O)c4ccc(O)c(O)c4; OC[C@H]1O[C@H]( [C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc3OC(=C C(=O)c3c2O)c4ccc(O)c(O)c4 |
2-[3,4-bis(oxidanyl)phenyl]-6-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one |
| 26993 |  H9S CHEMBL5795398 |
1 | C32 H47 N5 O4 S | InChI=1S/C32H47N5O4S/c1-4 -29(38)34-26(20-31-35-25- 13-12-24(22(2)3)19-28(25) 42-31)32(40)36-27(23-9-6- 5-7-10-23)21-33-30(39)11- 8-14-37-15-17-41-18-16-37 /h8,11-13,19,22-23,26-27H ,4-7,9-10,14-18,20-21H2,1 -3H3,(H,33,39)(H,34,38)(H ,36,40)/b11-8+/t26-,27+/m 0/s1; UJFGLWDCOSKDAK-LXTBRXRSSA-N |
C(C)(C)c1ccc2c(c1)sc(n2)CC(C(=O)NC(CNC(= O)[C@H]=CCN3CCOCC3)C4CCCCC4)NC(CC)=O; CC C(=O)N[CH](Cc1sc2cc(ccc2n1)C(C)C)C(=O)N[ CH](CNC(=O)C=CCN3CCOCC3)C4CCCCC4; CCC(=O )N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@ H](CNC(=O)/C=C/CN3CCOCC3)C4CCCCC4; CCC(= O)N[C@@H](Cc1sc2cc(ccc2n1)C(C)C)C(=O)N[C @H](CNC(=O)/C=C/CN3CCOCC3)C4CCCCC4; CCC( =O)NC(Cc1nc2ccc(cc2s1)C(C)C)C(=O)NC(CNC( =O)C=CCN3CCOCC3)C4CCCCC4 |
(2E)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(morpholin-4-yl)but-2-enamide |
| 26994 |  H9T |
2 | C7 H13 N O4 | InChI=1S/C7H13NO4/c9-1-2- 3-4(8-3)6(11)7(12)5(2)10/ h2-12H,1H2/t2-,3-,4-,5-,6 -,7-/m0/s1; GPIFFOGPRPKRHS-CLYCCYFHSA-N |
C(C1C2C(N2)C(C(C1O)O)O)O; OC[C@@H]1[C@H] (O)[C@H](O)[C@@H](O)[C@H]2N[C@@H]12; OC[ CH]1[CH](O)[CH](O)[CH](O)[CH]2N[CH]12; C ([C@H]1[C@H]2[C@H](N2)[C@@H]([C@H]([C@H] 1O)O)O)O |
(1~{S},2~{S},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol |
| 26995 |  H9U |
1 | C27 H44 N4 O17 | InChI=1S/C27H44N4O17/c1-9 (23(40)31-13(25(42)43)5-6 -16(36)37)28-24(41)10(2)4 5-22-18(30-12(4)35)26(44) 46-15(8-33)21(22)48-27-17 (29-11(3)34)20(39)19(38)1 4(7-32)47-27/h9-10,13-15, 17-22,26-27,32-33,38-39,4 4H,5-8H2,1-4H3,(H,28,41)( H,29,34)(H,30,35)(H,31,40 )(H,36,37)(H,42,43)/t9-,1 0+,13+,14+,15+,17+,18+,19 +,20+,21+,22+,26-,27-/m0/ s1; ZIRNZNIZUAXLNB-XNKNRSQBSA-N |
C[CH](NC(=O)[CH](C)O[CH]1[CH](NC(C)=O)[C H](O)O[CH](CO)[CH]1O[CH]2O[CH](CO)[CH](O )[CH](O)[CH]2NC(C)=O)C(=O)N[CH](CCC(O)=O )C(O)=O; CC(C(=O)NC(CCC(=O)O)C(=O)O)NC(= O)C(C)OC1C(C(OC(C1OC2C(C(C(C(O2)CO)O)O)N C(=O)C)CO)O)NC(=O)C; C[C@@H](C(=O)N[C@H] (CCC(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1 [C@H]([C@H](O[C@@H]([C@H]1O[C@H]2[C@@H]( [C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CO) O)NC(=O)C; C[C@H](NC(=O)[C@@H](C)O[C@@H] 1[C@@H](NC(C)=O)[C@@H](O)O[C@H](CO)[C@H] 1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H ]2NC(C)=O)C(=O)N[C@H](CCC(O)=O)C(O)=O |
(2R)-2-[[(2S)-2-[[(2R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]pentanedioic acid |
| 26996 |  H9V |
15 | C17 H12 Cl F3 N2 | InChI=1S/C17H12ClF3N2/c18 -11-5-12(20)16(13(21)6-11 )9-1-3-10(4-2-9)17-14(7-1 9)23-15(17)8-22/h1-6,14-1 5,17,23H,7H2/t14-,15-,17+ /m0/s1; XHUZEPHBFHVYMY-YQQAZPJKSA-N |
FC[CH]1N[CH](C#N)[CH]1c2ccc(cc2)c3c(F)cc (Cl)cc3F; c1cc(ccc1c2c(cc(cc2F)Cl)F)C3C( NC3C#N)CF; c1cc(ccc1c2c(cc(cc2F)Cl)F)[C@ @H]3[C@@H](N[C@H]3C#N)CF; FC[C@@H]1N[C@@ H](C#N)[C@@H]1c2ccc(cc2)c3c(F)cc(Cl)cc3F ; c1cc(ccc1C2C(CF)NC2C#N)c3c(cc(cc3F)Cl) F |
(2R,3S,4R)-3-(4'-chloro-2',6'-difluoro[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile |
| 26997 |  H9X |
1 | C12 H13 Br2 N3 O6 S | InChI=1S/C12H13Br2N3O6S/c 13-7-1-3-9(4-2-7)24(22,23 )15-12-10(16(18)19)5-8(14 )6-11(12)17(20)21/h1-6,15 ,18-23H; NHTMTRVPPRZTCB-UHFFFAOYSA-N |
c1cc(ccc1S(Nc2c(cc(cc2N(O)O)Br)N(O)O)(O) O)Br; ON(O)c1cc(Br)cc(N(O)O)c1N[S](O)(O) c2ccc(Br)cc2 |
5-bromanyl-N2-[(4-bromophenyl)-bis(oxidanyl)-$l^4-sulfanyl]-N1,N1,N3,N3-tetrakis(oxidanyl)benzene-1,2,3-triamine |
| 26998 |  H9Y CHEMBL3342978 ZINC000210929423 |
3 | C21 H14 F2 N4 O4 | InChI=1S/C21H14F2N4O4/c22 -14-1-2-17(19(8-14)30-6-5 -26-4-3-20(28)25-21(26)29 )31-18-9-15(23)12-27-11-1 3(10-24)7-16(18)27/h1-4,7 -9,11-12H,5-6H2,(H,25,28, 29); ZZRRYEXYIVBDNM-UHFFFAOYSA-N |
c1cc(c(cc1F)OCCN2C=CC(=O)NC2=O)Oc3cc(cn4 c3cc(c4)C#N)F; Fc1ccc(Oc2cc(F)cn3cc(cc23 )C#N)c(OCCN4C=CC(=O)NC4=O)c1; N#Cc2cc1c( cc(cn1c2)F)Oc3ccc(cc3OCCN4C(NC(=O)C=C4)= O)F |
8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile |
| 26999 |  H9Z |
1 | C29 H29 N7 O | InChI=1S/C29H29N7O/c1-35- 12-3-4-21(18-35)34-29(37) 23-7-9-30-17-26(23)33-22- 15-24(28-25(16-22)31-10-1 1-32-28)20-6-5-19-8-13-36 (2)27(19)14-20/h5-11,13-1 7,21,33H,3-4,12,18H2,1-2H 3,(H,34,37)/t21-/m0/s1; CZIVVJNETCQZQP-NRFANRHFSA-N |
CN1CCC[CH](C1)NC(=O)c2ccncc2Nc3cc4nccnc4 c(c3)c5ccc6ccn(C)c6c5; CN1CCC[C@@H](C1)N C(=O)c2ccncc2Nc3cc4nccnc4c(c3)c5ccc6ccn( C)c6c5; Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4) Nc5cnccc5C(=O)N[C@H]6CCCN(C6)C; Cn1ccc2c 1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)NC 6CCCN(C6)C |
3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpiperidin-3-yl]pyridine-4-carboxamide |
| 27000 |  HA0 ZINC000066156875 |
1 | C24 H30 N2 O6 | InChI=1S/C24H30N2O6/c1-2- 8-17(21(27)28)14-24(11-6- 7-12-24)23(31)26-18(22(29 )30)13-20-25-15-19(32-20) 16-9-4-3-5-10-16/h3-5,9-1 0,15,17-18H,2,6-8,11-14H2 ,1H3,(H,26,31)(H,27,28)(H ,29,30)/t17-,18-/m1/s1; SFZJKCPBOHKUKC-QZTJIDSGSA-N |
CCCC(CC1(CCCC1)C(=O)NC(Cc2ncc(o2)c3ccccc 3)C(=O)O)C(=O)O; CCC[CH](CC1(CCCC1)C(=O) N[CH](Cc2oc(cn2)c3ccccc3)C(O)=O)C(O)=O; CCC[C@H](CC1(CCCC1)C(=O)N[C@H](Cc2ncc(o2 )c3ccccc3)C(=O)O)C(=O)O; O=C(O)C(CCC)CC3 (C(=O)NC(C(=O)O)Cc1ncc(o1)c2ccccc2)CCCC3 ; CCC[C@H](CC1(CCCC1)C(=O)N[C@H](Cc2oc(c n2)c3ccccc3)C(O)=O)C(O)=O |
HETEROARYLALANINE 5-PHENYL OXAZOLE |