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Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 31801 |  L6R |
1 | C17 H19 Cl N2 O | InChI=1S/C17H19ClN2O/c1-3 -5-15(13-6-4-7-14(18)10-1 3)17(21)20-16-11-19-9-8-1 2(16)2/h4,6-11,15H,3,5H2, 1-2H3,(H,20,21)/t15-/m1/s 1; QJMYJFPUHDEEBX-OAHLLOKOSA-N |
CCCC(c1cccc(c1)Cl)C(=O)Nc2cnccc2C; CCC[C H](C(=O)Nc1cnccc1C)c2cccc(Cl)c2; CCC[C@@ H](C(=O)Nc1cnccc1C)c2cccc(Cl)c2; CCC[C@H ](c1cccc(c1)Cl)C(=O)Nc2cnccc2C; O=C(Nc1c nccc1C)C(CCC)c1cccc(Cl)c1 |
(2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)pentanamide |
| 31802 |  L6S |
9 | C6 H12 O9 S | InChI=1S/C6H12O9S/c7-3-2( 1-14-16(11,12)13)15-6(10) 5(9)4(3)8/h2-10H,1H2,(H,1 1,12,13)/t2-,3+,4+,5-,6+/ m0/s1; OKUVUONOJCDUJY-SXUWKVJYSA-N |
O=S(=O)(O)OCC1OC(O)C(O)C(O)C1O; C(C1C(C( C(C(O1)O)O)O)O)OS(=O)(=O)O; C([C@H]1[C@H ]([C@H]([C@@H]([C@@H](O1)O)O)O)O)OS(=O)( =O)O; O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O) [CH](O)[CH]1O; O[C@@H]1O[C@@H](CO[S](O)( =O)=O)[C@@H](O)[C@@H](O)[C@@H]1O |
6-O-sulfo-alpha-L-galactopyranose; 6-O-sulfo-alpha-L-galactose; 6-O-sulfo-L-galactose; 6-O-sulfo-galactose |
| 31803 |  L6T |
26 | C24 H46 O11 | InChI=1S/C24H46O11/c1-2-3 -4-5-6-7-8-9-10-11-12-32- 14-16-18(27)20(29)22(31)2 4(34-16)35-23-21(30)19(28 )17(26)15(13-25)33-23/h15 -31H,2-14H2,1H3/t15-,16-, 17-,18-,19+,20+,21-,22-,2 3-,24-/m1/s1; HIJNTEBBIQHGEK-FXPCSOOLSA-N |
CCCCCCCCCCCCOCC1C(C(C(C(O1)OC2C(C(C(C(O2 )CO)O)O)O)O)O)O; CCCCCCCCCCCCOC[C@@H]1[C @H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H] ([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O; C CCCCCCCCCCCOC[CH]1O[CH](O[CH]2O[CH](CO)[ CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O ; CCCCCCCCCCCCOC[C@H]1O[C@H](O[C@H]2O[C@ H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[ C@@H](O)[C@@H]1O; C1(OC(C(C(C1O)O)O)COCC CCCCCCCCCC)OC2C(C(C(C(CO)O2)O)O)O |
alpha-D-glucopyranosyl 6-O-dodecyl-alpha-D-glucopyranoside |
| 31804 |  L6U CHEMBL5208789 |
1 | C28 H34 N4 O5 S | InChI=1S/C28H34N4O5S/c1-2 9-27(34)22(14-11-19-8-5-4 -6-9-19)31-28(35)26(24-10 -7-15-38-24)32-25(33)18-3 0-17-20-12-13-21(36-2)16- 23(20)37-3/h4-10,12-13,15 -16,22,26,30H,11,14,17-18 H2,1-3H3,(H,29,34)(H,31,3 5)(H,32,33)/t22-,26+/m0/s 1; TUQBDKJHGPFTTD-BKMJKUGQSA-N |
O=C(NC(c1cccs1)C(=O)NC(CCc1ccccc1)C(=O)N C)CNCc1ccc(OC)cc1OC; CNC(=O)[C@H](CCc1cc ccc1)NC(=O)[C@H](NC(=O)CNCc2ccc(OC)cc2OC )c3sccc3; CNC(=O)C(CCc1ccccc1)NC(=O)C(c2 cccs2)NC(=O)CNCc3ccc(cc3OC)OC; CNC(=O)[C @H](CCc1ccccc1)NC(=O)[C@@H](c2cccs2)NC(= O)CNCc3ccc(cc3OC)OC; CNC(=O)[CH](CCc1ccc cc1)NC(=O)[CH](NC(=O)CNCc2ccc(OC)cc2OC)c 3sccc3 |
(2S)-2-{[(2S)-2-({N-[(2,4-dimethoxyphenyl)methyl]glycyl}amino)-2-(thiophen-2-yl)acetyl]amino}-N-methyl-4-phenylbutanamide |
| 31805 |  L6V |
1 | C19 H20 N2 O3 S2 | InChI=1S/C19H20N2O3S2/c20 -12-15-4-6-16(7-5-15)14-2 6(23,24)21-18(22)19(9-2-1 -3-10-19)17-8-11-25-13-17 /h4-8,11,13H,1-3,9-10,14H 2,(H,21,22); KAEXAGMLFGNNER-UHFFFAOYSA-N |
c1cc(ccc1CS(=O)(=O)NC(=O)C2(CCCCC2)c3ccs c3)C#N; O=C(N[S](=O)(=O)Cc1ccc(cc1)C#N)C 2(CCCCC2)c3cscc3; c1cc(ccc1CS(NC(C2(CCCC C2)c3ccsc3)=O)(=O)=O)C#N |
N-{[(4-cyanophenyl)methyl]sulfonyl}-1-(thiophen-3-yl)cyclohexane-1-carboxamide |
| 31806 |  L6X CHEMBL88700 ZINC000000402986 |
1 | C8 H8 O4 | InChI=1S/C8H8O4/c1-12-7-3 -2-5(8(10)11)4-6(7)9/h2-4 ,9H,1H3,(H,10,11); LBKFGYZQBSGRHY-UHFFFAOYSA-N |
COc1ccc(cc1O)C(=O)O; COc1ccc(cc1O)C(O)=O | 4-methoxy-3-oxidanyl-benzoic acid |
| 31807 |  L6Y ZINC000005234386 |
2 | C19 H11 N O4 | InChI=1S/C19H11NO4/c21-17 (11-5-2-1-3-6-11)13-9-10- 15-16-12(13)7-4-8-14(16)1 8(22)20(24)19(15)23/h1-10 ,24H; AFGMHSZWGJYWFH-UHFFFAOYSA-N |
ON1C(=O)c2cccc3c(ccc(C1=O)c23)C(=O)c4ccc cc4; c1ccc(cc1)C(=O)c2ccc3c4c2cccc4C(=O) N(C3=O)O |
2-oxidanyl-6-(phenylcarbonyl)benzo[de]isoquinoline-1,3-dione |
| 31808 |  L70 ZINC000618008251 |
1 | C19 H28 Cl2 N4 O2 S2 | InChI=1S/C19H28Cl2N4O2S2/ c1-24(2)7-9-29-28-8-5-23- 18(26)13-4-3-6-25(12-13)1 9(27)15-10-14(20)11-16(21 )17(15)22/h10-11,13H,3-9, 12,22H2,1-2H3,(H,23,26)/t 13-/m0/s1; CPSPVIZMUGBZBR-ZDUSSCGKSA-N |
CN(C)CCSSCCNC(=O)[C@H]1CCCN(C1)C(=O)c2cc (cc(c2N)Cl)Cl; CN(C)CCSSCCNC(=O)C1CCCN(C 1)C(=O)c2cc(cc(c2N)Cl)Cl; CN(C)CCSSCCNC( =O)[CH]1CCCN(C1)C(=O)c2cc(Cl)cc(Cl)c2N; CN(C)CCSSCCNC(=O)[C@H]1CCCN(C1)C(=O)c2cc (Cl)cc(Cl)c2N |
(3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide |
| 31809 |  L71 ZINC000263620237 |
1 | C13 H16 N2 O2 | InChI=1S/C13H16N2O2/c1-2- 15-12(16)7-11(13(15)17)10 -5-3-4-9(6-10)8-14/h3-6,1 1H,2,7-8,14H2,1H3/t11-/m0 /s1; AJBOSGPUTQMKJM-NSHDSACASA-N |
O=C2N(C(=O)CC2c1cccc(c1)CN)CC; CCN1C(=O) CC(C1=O)c2cccc(c2)CN; CCN1C(=O)C[C@H](C1 =O)c2cccc(CN)c2; CCN1C(=O)C[CH](C1=O)c2c ccc(CN)c2; CCN1C(=O)C[C@H](C1=O)c2cccc(c 2)CN |
(3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione |
| 31810 |  L73 CHEMBL5177515 |
1 | C30 H44 N4 O4 | InChI=1S/C30H44N4O4/c1-7- 8-16-32-20-27(35)33-26(18 -21-12-14-23(15-13-21)30( 2,3)4)29(37)34-25(28(36)3 1-5)19-22-10-9-11-24(17-2 2)38-6/h9-15,17,25-26,32H ,7-8,16,18-20H2,1-6H3,(H, 31,36)(H,33,35)(H,34,37)/ t25-,26+/m0/s1; VWEUUVZMTLGMMV-IZZNHLLZSA-N |
CCCCNCC(=O)N[C@H](Cc1ccc(cc1)C(C)(C)C)C( =O)N[C@@H](Cc2cccc(c2)OC)C(=O)NC; CCCCNC C(=O)N[C@H](Cc1ccc(cc1)C(C)(C)C)C(=O)N[C @@H](Cc2cccc(OC)c2)C(=O)NC; CCCCNCC(=O)N C(Cc1ccc(cc1)C(C)(C)C)C(=O)NC(Cc2cccc(c2 )OC)C(=O)NC; CCCCNCC(=O)N[CH](Cc1ccc(cc1 )C(C)(C)C)C(=O)N[CH](Cc2cccc(OC)c2)C(=O) NC; COc1cc(CC(NC(=O)C(Cc2ccc(cc2)C(C)(C) C)NC(=O)CNCCCC)C(=O)NC)ccc1 |
N-butylglycyl-4-tert-butyl-D-phenylalanyl-3-methoxy-N-methyl-L-phenylalaninamide |
| 31811 |  L74 CHEMBL267014 ZINC000095803215 |
2 | C18 H19 Cl N4 | InChI=1S/C18H19ClN4/c19-1 5-3-5-16(6-4-15)23-10-8-2 2(9-11-23)13-14-12-21-18- 17(14)2-1-7-20-18/h1-7,12 H,8-11,13H2,(H,20,21); OGJGQVFWEPNYSB-UHFFFAOYSA-N |
c1cc2c(c[nH]c2nc1)CN3CCN(CC3)c4ccc(cc4)C l; Clc1ccc(cc1)N2CCN(CC2)Cc3c[nH]c4ncccc 34; c2cc1c(cnc1nc2)CN3CCN(CC3)c4ccc(Cl)c c4 |
3-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-1H-pyrrolo[2,3-b]pyridine |
| 31812 |  L75 CHEMBL1233940 ZINC000024447427 |
2 | C39 H48 N4 O5 | InChI=1S/C39H48N4O5/c1-39 (2,3)41-38(47)33-25-42(24 -31-21-28-14-8-10-16-35(2 8)48-31)17-18-43(33)23-30 (44)20-29(19-26-11-5-4-6- 12-26)37(46)40-36-32-15-9 -7-13-27(32)22-34(36)45/h 4-16,21,29-30,33-34,36,44 -45H,17-20,22-25H2,1-3H3, (H,40,46)(H,41,47)/t29-,3 0+,33+,34-,36+/m1/s1; AOMZDQMIOCTPQP-QHQMVRJISA-N |
CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)C[ C@@H](Cc2ccccc2)C(=O)N[C@@H]3[C@H](O)Cc4 ccccc34)Cc5oc6ccccc6c5; CC(C)(C)NC(=O)C1 CN(CCN1CC(CC(Cc2ccccc2)C(=O)NC3c4ccccc4C C3O)O)Cc5cc6ccccc6o5; CC(C)(C)NC(=O)[CH] 1CN(CCN1C[CH](O)C[CH](Cc2ccccc2)C(=O)N[C H]3[CH](O)Cc4ccccc34)Cc5oc6ccccc6c5; CC( C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C [C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C @H]3O)O)Cc5cc6ccccc6o5; O=C(NC2c1ccccc1C C2O)C(Cc3ccccc3)CC(O)CN4C(C(=O)NC(C)(C)C )CN(CC4)Cc6oc5ccccc5c6 |
N-[2(R)-HYDROXY-1(S)-INDANYL]-2(R)-PHENYLMETHYL-4(S)-HYDROXY-5-[4-[2-BENZOFURANYLMETHYL]-2(S)-[TERT-BUTYLAMINOCARBONYL]-PIPERAZINYL]-PENTANEAMIDE; L-756,423 |
| 31813 |  L76 CHEMBL4303434 ZINC000027440858 |
1 | C26 H28 F7 N5 O2 | InChI=1S/C26H28F7N5O2/c1- 15(17-10-18(25(28,29)30)1 2-19(11-17)26(31,32)33)40 -24-23(16-4-6-20(27)7-5-1 6)38(8-9-39-24)14-22-21(1 3-37(2)3)34-36-35-22/h4-7 ,10-12,15,23-24H,8-9,13-1 4H2,1-3H3,(H,34,35,36)/t1 5-,23+,24-/m1/s1; USRYEHHMJIRICK-ZNZBMKLDSA-N |
C[C@@H](O[C@H]1OCCN(Cc2nn[nH]c2CN(C)C)[C @H]1c3ccc(F)cc3)c4cc(cc(c4)C(F)(F)F)C(F) (F)F; CC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)OC 2C(N(CCO2)Cc3c([nH]nn3)CN(C)C)c4ccc(cc4) F; C[CH](O[CH]1OCCN(Cc2nn[nH]c2CN(C)C)[C H]1c3ccc(F)cc3)c4cc(cc(c4)C(F)(F)F)C(F)( F)F; C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F )O[C@@H]2[C@@H](N(CCO2)Cc3c([nH]nn3)CN(C )C)c4ccc(cc4)F; Fc1ccc(cc1)C2N(CCOC2OC(C )c3cc(cc(c3)C(F)(F)F)C(F)(F)F)Cc4c(CN(C) C)nnn4 |
1-(4-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1H-1,2,3-triazol-5-yl)-N,N-dimethylmethanamine |
| 31814 |  L77 |
1 | C22 H15 Cl F4 N2 O3 S | InChI=1S/C22H15ClF4N2O3S/ c23-17-5-2-6-18(24)20(17) 21(30)28-15-8-7-13-9-10-2 9(19(13)12-15)33(31,32)16 -4-1-3-14(11-16)22(25,26) 27/h1-8,11-12H,9-10H2,(H, 28,30); QZUQDSDXWBNSPD-UHFFFAOYSA-N |
c1cc(cc(c1)S(=O)(=O)N2CCc3c2cc(cc3)NC(=O )c4c(cccc4Cl)F)C(F)(F)F; Fc1cccc(Cl)c1C( =O)Nc2ccc3CCN(c3c2)[S](=O)(=O)c4cccc(c4) C(F)(F)F; N(C(=O)c1c(cccc1Cl)F)c2cc3N(CC c3cc2)S(=O)(=O)c4cc(ccc4)C(F)(F)F |
2-chloro-6-fluoro-N-(1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indol-6-yl)benzamide |
| 31815 |  L79 |
1 | C25 H30 O3 | InChI=1S/C25H30O3/c1-24(2 )12-13-25(3,4)21-14-16(8- 10-20(21)24)18-6-5-7-22-1 9(18)15-17(28-22)9-11-23( 26)27/h5-11,14,17,19,22H, 12-13,15H2,1-4H3,(H,26,27 )/b11-9+/t17-,19?,22?/m1/ s1; WFLQBFXZEVUXMT-UEOKTHRPSA-N |
CC1(CCC(c2c1ccc(c2)C3=CC=CC4C3CC(O4)C=CC (=O)O)(C)C)C; CC1(CCC(c2c1ccc(c2)C3=CC=C C4C3CC(O4)\C=C\C(=O)O)(C)C)C; O=C(O)\C=C \C3OC4C=CC=C(c1ccc2c(c1)C(C)(C)CCC2(C)C) C4C3; CC1(C)CCC(C)(C)c2cc(ccc12)C3=CC=C[ C@@H]4O[C@@H](C[C@H]34)\C=C\C(O)=O; CC1( C)CCC(C)(C)c2cc(ccc12)C3=CC=C[CH]4O[CH]( C[CH]34)C=CC(O)=O |
(S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO-1-BENZOFURAN-2-YL]-2-PROPENOIC ACID |
| 31816 |  L7A CHEMBL1738828 |
1 | C17 H13 N3 O2 | InChI=1S/C17H13N3O2/c21-1 6(13-4-2-1-3-5-13)20-15-1 0-14(11-19-17(15)22)12-6- 8-18-9-7-12/h1-11H,(H,19, 22)(H,20,21); KASWEFFYPLWMCM-UHFFFAOYSA-N |
O=C1NC=C(C=C1NC(=O)c2ccccc2)c3ccncc3; c1 ccc(cc1)C(=O)NC2=CC(=CNC2=O)c3ccncc3; O= C2C(NC(=O)c1ccccc1)=CC(=CN2)c3ccncc3 |
N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)benzamide; 3-Benzoylamino-5-(pyridin-4-yl)-(1H)-pyridin-2-one |
| 31817 |  L7C |
2 | C19 H20 F N3 O2 | InChI=1S/C19H20FN3O2/c20- 16-6-2-1-5-14(16)8-9-18(2 4)23-12-10-15(13-23)19(25 )22-17-7-3-4-11-21-17/h1- 7,11,15H,8-10,12-13H2,(H, 21,22,25)/t15-/m1/s1; APMPJDBWBVVBBD-OAHLLOKOSA-N |
c1ccc(c(c1)CCC(=O)N2CC[C@H](C2)C(=O)Nc3c cccn3)F; c1ccc(c(c1)CCC(=O)N2CCC(C2)C(=O )Nc3ccccn3)F; O=C(Nc1ccccn1)C1CCN(C1)C(= O)CCc1ccccc1F; Fc1ccccc1CCC(=O)N2CC[CH]( C2)C(=O)Nc3ccccn3; Fc1ccccc1CCC(=O)N2CC[ C@H](C2)C(=O)Nc3ccccn3 |
(3R)-1-[3-(2-fluorophenyl)propanoyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide |
| 31818 |  L7D CHEMBL4591380 |
2 | C20 H17 F7 O3 S | InChI=1S/C20H17F7O3S/c21- 15-7-9-16(10-8-15)31(29,3 0)17(11-1-2-12-17)13-3-5- 14(6-4-13)18(28,19(22,23) 24)20(25,26)27/h3-10,28H, 1-2,11-12H2; BANKSZZTXXTYRE-UHFFFAOYSA-N |
c1cc(ccc1C2(CCCC2)S(=O)(=O)c3ccc(cc3)F)C (C(F)(F)F)(C(F)(F)F)O; c3c(ccc(S(C1(CCCC 1)c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F)(=O)= O)c3)F; OC(c1ccc(cc1)C2(CCCC2)[S](=O)(=O )c3ccc(F)cc3)(C(F)(F)F)C(F)(F)F |
1,1,1,3,3,3-hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol |
| 31819 |  L7F |
1 | C14 H18 N2 O | InChI=1S/C14H18N2O/c1-10- 4-6-15-9-12(10)16-13(17)8 -14-5-2-3-11(14)7-14/h4,6 ,9,11H,2-3,5,7-8H2,1H3,(H ,16,17)/t11-,14+/m1/s1; ZVPGUVBZPWGJPX-RISCZKNCSA-N |
O=C(Nc1cnccc1C)CC12CC2CCC1; Cc1ccncc1NC( =O)C[C@@]23CCC[C@@H]2C3; Cc1ccncc1NC(=O) CC23CCCC2C3; Cc1ccncc1NC(=O)C[C]23CCC[CH ]2C3 |
2-[(1S,5R)-bicyclo[3.1.0]hexan-1-yl]-N-(4-methylpyridin-3-yl)acetamide |
| 31820 |  L7G CHEMBL3593415 ZINC000230838965 |
4 | C23 H31 N5 O3 S2 | InChI=1S/C23H31N5O3S2/c1- 14(2)19-20(30)26-16(6-4-5 -9-32)11-18(29)25-12-17-1 0-15(7-8-24-17)21-28-23(3 ,13-33-21)22(31)27-19/h4, 6-8,10,14,16,19,32H,5,9,1 1-13H2,1-3H3,(H,25,29)(H, 26,30)(H,27,31)/b6-4+/t16 -,19+,23+/m1/s1; KTHSULHRWFVWHD-GZGVDZSUSA-N |
CC(C)[CH]1NC(=O)[C]2(C)CSC(=N2)c3ccnc(CN C(=O)C[CH](NC1=O)C=CCCS)c3; CC(C)[C@@H]1 NC(=O)[C@]2(C)CSC(=N2)c3ccnc(CNC(=O)C[C@ H](NC1=O)/C=C/CCS)c3; CC(C)[C@H]1C(=O)N[ C@@H](CC(=O)NCc2cc(ccn2)C3=N[C@@](CS3)(C (=O)N1)C)/C=C/CCS; CC(C)C1C(=O)NC(CC(=O) NCc2cc(ccn2)C3=NC(CS3)(C(=O)N1)C)C=CCCS; O=C2NCc1nccc(c1)C3=NC(C(=O)NC(C(=O)NC(/ C=C/CCS)C2)C(C)C)(C)CS3 |
(5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,17,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione |
| 31821 |  L7H CHEMBL4519023 |
1 | C23 H25 F3 N4 O3 | InChI=1S/C23H25F3N4O3/c1- 12(14-6-15(23(24,25)26)8- 16(27)7-14)28-22-18-9-21( 33-17-4-5-32-11-17)20(31- 3)10-19(18)29-13(2)30-22/ h6-10,12,17H,4-5,11,27H2, 1-3H3,(H,28,29,30)/t12-,1 7+/m1/s1; XVFDNRYZXDHTHT-PXAZEXFGSA-N |
Cc1nc2cc(c(cc2c(n1)NC(C)c3cc(cc(c3)N)C(F )(F)F)OC4CCOC4)OC; COc1cc2nc(C)nc(N[C@H] (C)c3cc(N)cc(c3)C(F)(F)F)c2cc1O[C@H]4CCO C4; COc1cc2nc(C)nc(N[CH](C)c3cc(N)cc(c3) C(F)(F)F)c2cc1O[CH]4CCOC4; Cc1nc2cc(c(cc 2c(n1)N[C@H](C)c3cc(cc(c3)N)C(F)(F)F)O[C @H]4CCOC4)OC |
~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3~{S})-oxolan-3-yl]oxy-quinazolin-4-amine |
| 31822 |  L7I CHEMBL3448046 |
2 | C14 H15 F N4 O2 S | InChI=1S/C14H15FN4O2S/c1- 22(20,21)19-7-10(8-19)13- 12(6-17-14(16)18-13)9-2-4 -11(15)5-3-9/h2-6,10H,7-8 H2,1H3,(H2,16,17,18); TXIPIRKCLIOFPK-UHFFFAOYSA-N |
O=S(C)(=O)N1CC(C1)c1nc(N)ncc1c1ccc(F)cc1 ; CS(=O)(=O)N1CC(C1)c2c(cnc(n2)N)c3ccc(c c3)F; C[S](=O)(=O)N1CC(C1)c2nc(N)ncc2c3c cc(F)cc3 |
5-(4-fluorophenyl)-4-[1-(methanesulfonyl)azetidin-3-yl]pyrimidin-2-amine |
| 31823 |  L7J |
1 | C21 H15 Cl2 F3 N2 O3 S | InChI=1S/C21H15Cl2F3N2O3S /c22-18-10-27-11-19(23)17 (18)12-31-15-5-4-13-6-7-2 8(20(13)9-15)32(29,30)16- 3-1-2-14(8-16)21(24,25)26 /h1-5,8-11H,6-7,12H2; PXLLMOZEQWSZPR-UHFFFAOYSA-N |
FC(F)(F)c1cccc(c1)[S](=O)(=O)N2CCc3ccc(O Cc4c(Cl)cncc4Cl)cc23; c1(cc(ccc1)C(F)(F) F)S(N3CCc2ccc(cc23)OCc4c(cncc4Cl)Cl)(=O) =O; c1cc(cc(c1)S(=O)(=O)N2CCc3c2cc(cc3)O Cc4c(cncc4Cl)Cl)C(F)(F)F |
6-[(3,5-dichloropyridin-4-yl)methoxy]-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indole |
| 31824 |  L7K |
1 | C16 H24 N6 | InChI=1S/C16H24N6/c17-18- 15(14-9-5-2-6-10-14)16-19 -20-21-22(16)12-11-13-7-3 -1-4-8-13/h1,3-4,7-8,14-1 5,18H,2,5-6,9-12,17H2/t15 -/m1/s1; RYAQXBFFYZPWMF-OAHLLOKOSA-N |
c1ccc(cc1)CCn2c(nnn2)C(C3CCCCC3)NN; c1cc c(cc1)CCn2c(nnn2)[C@@H](C3CCCCC3)NN; NN[ CH](C1CCCCC1)c2nnnn2CCc3ccccc3; NN[C@H]( C1CCCCC1)c2nnnn2CCc3ccccc3 |
[(~{R})-cyclohexyl-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]diazane |
| 31825 |  L7L ZINC000618009233 |
1 | C19 H27 Cl2 N3 O3 S2 | InChI=1S/C19H27Cl2N3O3S2/ c1-23(2)7-9-29-28-8-5-22- 18(26)13-4-3-6-24(12-13)1 9(27)14-10-15(20)17(25)16 (21)11-14/h10-11,13,25H,3 -9,12H2,1-2H3,(H,22,26)/t 13-/m0/s1; UKBAKSHRJHOHKZ-ZDUSSCGKSA-N |
CN(C)CCSSCCNC(=O)[CH]1CCCN(C1)C(=O)c2cc( Cl)c(O)c(Cl)c2; CN(C)CCSSCCNC(=O)[C@H]1C CCN(C1)C(=O)c2cc(Cl)c(O)c(Cl)c2; CN(C)CC SSCCNC(=O)C1CCCN(C1)C(=O)c2cc(c(c(c2)Cl) O)Cl; CN(C)CCSSCCNC(=O)[C@H]1CCCN(C1)C(= O)c2cc(c(c(c2)Cl)O)Cl |
(3~{S})-1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide |
| 31826 |  L7M |
4 | C35 H37 Cl N4 O5 S | InChI=1S/C35H37ClN4O5S/c1 -23-29(30-21-26(45-4)17-1 8-32(30)40(23)35(42)24-13 -15-25(36)16-14-24)22-34( 41)37-19-5-6-20-38-46(43, 44)33-12-8-9-27-28(33)10- 7-11-31(27)39(2)3/h7-18,2 1,38H,5-6,19-20,22H2,1-4H 3,(H,37,41); YGEBTZVDTLWCOG-UHFFFAOYSA-N |
c2(c1c(ccc(OC)c1)n(c2C)C(c3ccc(cc3)Cl)=O )CC(NCCCCNS(c4cccc5c4cccc5N(C)C)(=O)=O)= O; COc1ccc2n(c(C)c(CC(=O)NCCCCN[S](=O)(= O)c3cccc4c(cccc34)N(C)C)c2c1)C(=O)c5ccc( Cl)cc5; Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)C l)OC)CC(=O)NCCCCNS(=O)(=O)c4cccc5c4cccc5 N(C)C |
2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]acetamide |
| 31827 |  L7N |
5 | C11 H15 N3 O7 P | InChI=1S/C11H14N3O7P/c1-6 -10(15)8(3-13-9-5-20-14-1 1(9)16)7(2-12-6)4-21-22(1 7,18)19/h2-3,9,15H,4-5H2, 1H3,(H,14,16)(H2,17,18,19 )/p+1/b13-3+/t9-/m1/s1; PWALIMMCDFLLIJ-RZTFRGLUSA-O |
Cc1c(c(c(cn1)COP(=O)(O)O)C=[NH+]C2CONC2= O)O; Cc1c(c(c(cn1)COP(=O)(O)O)/C=[NH+]/[ C@@H]2CONC2=O)O; Cc1ncc(CO[P](O)(O)=O)c( C=[NH+][CH]2CONC2=O)c1O; Cc1ncc(CO[P](O) (O)=O)c(C=[NH+][C@@H]2CONC2=O)c1O |
(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{R})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium |
| 31828 |  L7O CHEMBL1738829 ZINC000066157009 |
1 | C22 H24 N6 O2 | InChI=1S/C22H24N6O2/c1-23 -22-24-10-9-18(27-22)16-1 3-19(21(30)25-14-16)26-20 (29)15-5-7-17(8-6-15)28-1 1-3-2-4-12-28/h5-10,13-14 H,2-4,11-12H2,1H3,(H,25,3 0)(H,26,29)(H,23,24,27); MKSQDWBNZVGINB-UHFFFAOYSA-N |
O=C2NC=C(c1nc(ncc1)NC)C=C2NC(=O)c3ccc(cc 3)N4CCCCC4; CNc1nccc(n1)C2=CNC(=O)C(=C2) NC(=O)c3ccc(cc3)N4CCCCC4 |
N-{5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1,2-dihydropyridin-3-yl}-4-(piperidin-1-yl)benzamide; 3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylamino)pyrimidin-4-yl)-(1H)-pyridin-2-one |
| 31829 |  L7P CHEMBL2137199 ZINC000095571083 |
2 | C26 H24 F7 N3 O | InChI=1S/C26H24F7N3O/c27- 23-15-21(24(37,25(28,29)3 0)26(31,32)33)5-6-22(23)2 0-3-1-18(2-4-20)16-35-11- 13-36(14-12-35)17-19-7-9- 34-10-8-19/h1-10,15,37H,1 1-14,16-17H2; KVHKWAZUPPBMLL-UHFFFAOYSA-N |
C(O)(C(F)(F)F)(c4cc(F)c(c3ccc(CN1CCN(CC1 )Cc2ccncc2)cc3)cc4)C(F)(F)F; OC(c1ccc(c( F)c1)c2ccc(CN3CCN(CC3)Cc4ccncc4)cc2)(C(F )(F)F)C(F)(F)F; c1cc(ccc1CN2CCN(CC2)Cc3c cncc3)c4ccc(cc4F)C(C(F)(F)F)(C(F)(F)F)O |
1,1,1,3,3,3-hexafluoro-2-[2-fluoro-4'-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}methyl)[1,1'-biphenyl]-4-yl]propan-2-ol |
| 31830 |  L7Q |
1 | C17 H20 N2 O | InChI=1S/C17H20N2O/c1-13- 9-10-18-12-15(13)19-16(20 )11-17(2,3)14-7-5-4-6-8-1 4/h4-10,12H,11H2,1-3H3,(H ,19,20); BLCPNJMZJGFGAP-UHFFFAOYSA-N |
O=C(Nc1cnccc1C)CC(C)(C)c1ccccc1; Cc1ccnc c1NC(=O)CC(C)(C)c2ccccc2 |
3-methyl-N-(4-methylpyridin-3-yl)-3-phenylbutanamide |
| 31831 |  L7R CHEMBL3448145 ZINC000257331089 |
2 | C15 H18 F N5 O2 S | InChI=1S/C15H18FN5O2S/c1- 20(2)24(22,23)21-8-11(9-2 1)14-13(7-18-15(17)19-14) 10-3-5-12(16)6-4-10/h3-7, 11H,8-9H2,1-2H3,(H2,17,18 ,19); XRIFZYNLQSZNGC-UHFFFAOYSA-N |
CN(C)S(=O)(=O)N1CC(C1)c2c(cnc(n2)N)c3ccc (cc3)F; O=S(=O)(N(C)C)N1CC(C1)c1nc(N)ncc 1c1ccc(F)cc1; CN(C)[S](=O)(=O)N1CC(C1)c2 nc(N)ncc2c3ccc(F)cc3 |
3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]-N,N-dimethylazetidine-1-sulfonamide |
| 31832 |  L7S ZINC000263621215 |
1 | C13 H14 N2 O3 | InChI=1S/C13H14N2O3/c1-2- 15-11(16)7-10(13(15)18)8- 4-3-5-9(6-8)12(14)17/h3-6 ,10H,2,7H2,1H3,(H2,14,17) /t10-/m1/s1; XGUUYQHDALENIF-SNVBAGLBSA-N |
CCN1C(=O)CC(C1=O)c2cccc(c2)C(=O)N; CCN1C (=O)C[C@@H](C1=O)c2cccc(c2)C(=O)N; CCN1C (=O)C[CH](C1=O)c2cccc(c2)C(N)=O; CCN1C(= O)C[C@@H](C1=O)c2cccc(c2)C(N)=O; O=C2N(C (=O)CC2c1cccc(C(=O)N)c1)CC |
3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide |
| 31833 |  L7T CHEMBL2333413 ZINC000002576671 |
1 | C6 H2 F5 N O2 S | InChI=1S/C6H2F5NO2S/c7-1- 2(8)4(10)6(15(12,13)14)5( 11)3(1)9/h(H2,12,13,14); ZWVYQZBCSXCUOO-UHFFFAOYSA-N |
c1(c(c(c(c(c1F)F)S(=O)(=O)N)F)F)F; N[S]( =O)(=O)c1c(F)c(F)c(F)c(F)c1F |
2,3,4,5,6-pentafluorobenzenesulfonamide |
| 31834 |  L7U ZINC000618008308 |
1 | C26 H37 N3 O3 S2 | InChI=1S/C26H37N3O3S2/c1- 19(21-5-6-23-18-24(32-4)8 -7-22(23)17-21)26(31)29-1 2-9-20(10-13-29)25(30)27- 11-15-33-34-16-14-28(2)3/ h5-8,17-20H,9-16H2,1-4H3, (H,27,30)/t19-/m1/s1; DZVLAKKQKOIIMO-LJQANCHMSA-N |
C[C@H](c1ccc2cc(ccc2c1)OC)C(=O)N3CCC(CC3 )C(=O)NCCSSCCN(C)C; CC(c1ccc2cc(ccc2c1)O C)C(=O)N3CCC(CC3)C(=O)NCCSSCCN(C)C; COc1 ccc2cc(ccc2c1)[CH](C)C(=O)N3CCC(CC3)C(=O )NCCSSCCN(C)C; COc1ccc2cc(ccc2c1)[C@@H]( C)C(=O)N3CCC(CC3)C(=O)NCCSSCCN(C)C |
~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-1-[(2~{R})-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide |
| 31835 |  L7V ZINC000084422182 |
1 | C16 H18 N4 O2 | InChI=1S/C16H18N4O2/c21-1 4(9-11-3-1-7-17-10-11)20- 8-2-4-13(20)15-18-16(22-1 9-15)12-5-6-12/h1,3,7,10, 12-13H,2,4-6,8-9H2/t13-/m 0/s1; SHUFUJKRBBPZHJ-ZDUSSCGKSA-N |
O=C(Cc1cccnc1)N2CCC[CH]2c3noc(n3)C4CC4; O=C(Cc1cccnc1)N2CCC[C@H]2c3noc(n3)C4CC4; c1cc(cnc1)CC(=O)N2CCC[C@H]2c3nc(on3)C4C C4; O=C(Cc1cccnc1)N1CCCC1c1nc(on1)C1CC1; c1cc(cnc1)CC(=O)N2CCCC2c3nc(on3)C4CC4 |
1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one |
| 31836 |  L7W ZINC000019747821 |
2 | C18 H18 F N3 O3 | InChI=1S/C18H18FN3O3/c19- 14-5-1-2-6-15(14)25-12-17 (23)22-10-8-13(11-22)18(2 4)21-16-7-3-4-9-20-16/h1- 7,9,13H,8,10-12H2,(H,20,2 1,24)/t13-/m0/s1; DDCJGHSYQAZZSQ-ZDUSSCGKSA-N |
Fc1ccccc1OCC(=O)N2CC[C@@H](C2)C(=O)Nc3cc ccn3; c1ccc(c(c1)OCC(=O)N2CCC(C2)C(=O)Nc 3ccccn3)F; O=C(Nc1ccccn1)C1CCN(C1)C(=O)C Oc1ccccc1F; c1ccc(c(c1)OCC(=O)N2CC[C@@H] (C2)C(=O)Nc3ccccn3)F; Fc1ccccc1OCC(=O)N2 CC[CH](C2)C(=O)Nc3ccccn3 |
(3S)-1-[(2-fluorophenoxy)acetyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide |
| 31837 |  L7X |
2 | C9 H17 Br O7 P2 | InChI=1S/C9H17BrO7P2/c1-8 (2)4-3-5-9(10)6-7-16-19(1 4,15)17-18(11,12)13/h4,6H ,3,5,7H2,1-2H3,(H,14,15)( H2,11,12,13)/b9-6-; YMIXOXPUDYECRP-TWGQIWQCSA-N |
CC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)Br)C; CC (C)=CCC\C(Br)=C\CO[P](O)(=O)O[P](O)(O)=O ; CC(C)=CCCC(Br)=CCO[P](O)(=O)O[P](O)(O) =O; CC(=CCC/C(=C/COP(=O)(O)OP(=O)(O)O)/B r)C |
[(2Z)-3-bromanyl-7-methyl-octa-2,6-dienyl] phosphono hydrogen phosphate |
| 31838 |  L7Y CHEMBL4574936 ZINC000012670721 |
2 | C23 H22 Cl N3 O3 | InChI=1S/C23H22ClN3O3/c24 -20-6-4-16(5-7-20)18-12-1 9(22(28)26-14-18)15-25-21 -3-1-2-17(13-21)23(29)27- 8-10-30-11-9-27/h1-7,12-1 4,25H,8-11,15H2,(H,26,28); FGOXIGQZSJLIHW-UHFFFAOYSA-N |
c1cc(cc(c1)NCC2=CC(=CNC2=O)c3ccc(cc3)Cl) C(=O)N4CCOCC4; Clc1ccc(cc1)C2=CNC(=O)C(= C2)CNc3cccc(c3)C(=O)N4CCOCC4; Clc1ccc(cc 1)C2=CNC(=O)C(=C2)CNc3cccc(c3)C(N4CCOCC4 )=O |
5-(4-chlorophenyl)-3-({[3-(morpholine-4-carbonyl)phenyl]amino}methyl)pyridin-2(1H)-one |
| 31839 |  L7Z |
2 | C14 H16 O2 | InChI=1S/C14H16O2/c1-10-3 -5-11(6-4-10)9-14(2)12(15 )7-8-13(14)16/h3-6H,7-9H2 ,1-2H3; XPAGRKMTCCCSPR-UHFFFAOYSA-N |
Cc1ccc(cc1)CC2(C(=O)CCC2=O)C; Cc1ccc(CC2 (C)C(=O)CCC2=O)cc1 |
2-methyl-2-[(4-methylphenyl)methyl]cyclopentane-1,3-dione |
| 31840 |  L80 CHEMBL5076397 |
1 | C23 H23 Cl2 F3 N6 O2 | InChI=1S/C23H23Cl2F3N6O2/ c24-14-3-11-6-29-22(32-17 -7-30-34(21(17)25)20-5-23 (20,27)28)31-16(11)4-13(1 4)12-1-2-33(8-15(12)26)18 -9-36-10-19(18)35/h3-4,6- 7,12,15,18-20,35H,1-2,5,8 -10H2,(H,29,31,32)/t12-,1 5+,18+,19-,20+/m0/s1; JCYBYWFFRFKLHB-FYTJDIJESA-N |
OC1COCC1N1CC(F)C(CC1)c1cc2nc(Nc3cnn(C4CC 4(F)F)c3Cl)ncc2cc1Cl; c1c2cnc(nc2cc(c1Cl )[C@@H]3CCN(C[C@H]3F)[C@@H]4COC[C@@H]4O) Nc5cnn(c5Cl)[C@@H]6CC6(F)F; O[C@H]1COC[C @H]1N2CC[C@H]([C@H](F)C2)c3cc4nc(Nc5cnn( [C@@H]6CC6(F)F)c5Cl)ncc4cc3Cl; c1c2cnc(n c2cc(c1Cl)C3CCN(CC3F)C4COCC4O)Nc5cnn(c5C l)C6CC6(F)F; O[CH]1COC[CH]1N2CC[CH]([CH] (F)C2)c3cc4nc(Nc5cnn([CH]6CC6(F)F)c5Cl)n cc4cc3Cl |
(3R,4R)-4-{(3S,4S)-4-[6-chloro-2-({5-chloro-1-[(1R)-2,2-difluorocyclopropyl]-1H-pyrazol-4-yl}amino)quinazolin-7-yl]-3-fluoropiperidin-1-yl}oxolan-3-ol |
| 31841 |  L81 CHEMBL1215538 ZINC000058575992 |
2 | C19 H20 N2 O2 | InChI=1S/C19H20N2O2/c1-19 (2)11-20-16-8-17(22)14(7- 15(16)19)18(23)21-9-12-5- 3-4-6-13(12)10-21/h3-8,20 ,22H,9-11H2,1-2H3; ATFBTSVSJAEVMV-UHFFFAOYSA-N |
CC1(CNc2c1cc(c(c2)O)C(=O)N3Cc4ccccc4C3)C ; CC1(C)CNc2cc(O)c(cc12)C(=O)N3Cc4ccccc4 C3; O=C(c1cc2c(cc1O)NCC2(C)C)N4Cc3ccccc3 C4 |
1,3-DIHYDROISOINDOL-2-YL-(6-HYDROXY-3,3-DIMETHYL-1,2-DIHYDROINDOL-5-YL)METHANONE |
| 31842 |  L82 CHEMBL5280464 |
1 | C25 H26 N6 O2 S | InChI=1S/C25H26N6O2S/c32- 24(33)22(13-8-16-31-23(28 -29-25(31)34)19-9-2-1-3-1 0-19)30(17-20-11-4-6-14-2 6-20)18-21-12-5-7-15-27-2 1/h1-7,9-12,14-15,22H,8,1 3,16-18H2,(H,29,34)(H,32, 33)/t22-/m0/s1; DXFIRCHAKLZTEP-QFIPXVFZSA-N |
c1ccc(cc1)C2=NNC(=S)N2CCC[C@@H](C(=O)O)N (Cc3ccccn3)Cc4ccccn4; OC(=O)[C@H](CCCN1C (=S)NN=C1c2ccccc2)N(Cc3ccccn3)Cc4ccccn4; c1ccc(cc1)C2=NNC(=S)N2CCCC(C(=O)O)N(Cc3 ccccn3)Cc4ccccn4; OC(=O)[CH](CCCN1C(=S)N N=C1c2ccccc2)N(Cc3ccccn3)Cc4ccccn4 |
(2~{S})-2-[bis(pyridin-2-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid |
| 31843 |  L83 |
1 | C14 H14 Cl N3 O | InChI=1S/C14H14ClN3O/c1-9 -5-6-17-14(16)13(9)18-12( 19)8-10-3-2-4-11(15)7-10/ h2-7H,8H2,1H3,(H2,16,17)( H,18,19); HMBNRINOSXPSCN-UHFFFAOYSA-N |
Cc1ccnc(N)c1NC(=O)Cc2cccc(Cl)c2; Nc1nccc (C)c1NC(=O)Cc1cccc(Cl)c1; Cc1ccnc(c1NC(= O)Cc2cccc(c2)Cl)N |
N-(2-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide |
| 31844 |  L84 |
4 | C34 H37 F3 N2 O6 S | InChI=1S/C34H37F3N2O6S/c3 5-34(36,37)22-39(25-9-15- 28(16-10-25)44-20-4-19-38 -17-2-1-3-18-38)46(42,43) 30-21-29-31(23-5-11-26(40 )12-6-23)32(33(30)45-29)2 4-7-13-27(41)14-8-24/h5-1 6,29-30,33,40-41H,1-4,17- 22H2/t29-,30+,33+/m0/s1; JOYBDOPCMKMEKG-AARCXHMLSA-N |
Oc1ccc(cc1)C2=C([C@@H]3O[C@H]2C[C@H]3[S] (=O)(=O)N(CC(F)(F)F)c4ccc(OCCCN5CCCCC5)c c4)c6ccc(O)cc6; c1cc(ccc1C2=C(C3C(CC2O3) S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)OCCCN5CCC CC5)c6ccc(cc6)O)O; c1cc(ccc1C2=C([C@H]3[ C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4 ccc(cc4)OCCCN5CCCCC5)c6ccc(cc6)O)O; Oc1c cc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O) N(CC(F)(F)F)c4ccc(OCCCN5CCCCC5)cc4)c6ccc (O)cc6; O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1 )c1ccc(O)cc1)N(CC(F)(F)F)c1ccc(OCCCN2CCC CC2)cc1 |
(1S,2R,4S,5S,6S)-5,6-bis(4-hydroxyphenyl)-N-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide |
| 31845 |  L85 ZINC000004404103 |
1 | C12 H10 N2 O4 S | InChI=1S/C12H10N2O4S/c15- 11-5-1-9(2-6-11)13-14-10- 3-7-12(8-4-10)19(16,17)18 /h1-8,15H,(H,16,17,18)/b1 4-13+; CNYMBHPFLJWLJW-BUHFOSPRSA-N |
c1cc(ccc1N=Nc2ccc(cc2)S(=O)(=O)O)O; c1cc (ccc1/N=N/c2ccc(cc2)S(=O)(=O)O)O; O=S(=O )(O)c2ccc(/N=N/c1ccc(O)cc1)cc2; Oc1ccc(c c1)N=Nc2ccc(cc2)[S](O)(=O)=O |
4-[(E)-(4-hydroxyphenyl)diazenyl]benzenesulfonic acid |
| 31846 |  L86 CHEMBL327421 ZINC000003991144 |
1 | C27 H33 Cl N6 O2 | InChI=1S/C27H33ClN6O2/c28 -24-18-32-26-27(36)34(24) 19-25(35)31-16-22-10-5-4- 9-21(22)11-14-29-12-6-13- 30-17-23(33-26)15-20-7-2- 1-3-8-20/h1-5,7-10,18,23, 29-30H,6,11-17,19H2,(H,31 ,35)(H,32,33)/t23-/m0/s1; LYVSCNRRXJZCRV-QHCPKHFHSA-N |
ClC1=CN=C2N[CH](CNCCCNCCc3ccccc3CNC(=O)C N1C2=O)Cc4ccccc4; ClC1=CN=C2N[C@H](CNCCC NCCc3ccccc3CNC(=O)CN1C2=O)Cc4ccccc4; c1c cc(cc1)C[C@H]2CNCCCNCCc3ccccc3CNC(=O)CN4 C(=CN=C(C4=O)N2)Cl; c1ccc(cc1)CC2CNCCCNC Cc3ccccc3CNC(=O)CN4C(=CN=C(C4=O)N2)Cl; O =C3NCc1ccccc1CCNCCCNCC(NC2=NC=C(Cl)N(C2= O)C3)Cc4ccccc4 |
(11S)-11-BENZYL-6-CHLORO-1,2,10,11,12,13,14,15,16,17,18,19-DODECAHYDRO-5,9-METHANO-2,5,8,10,13,17-BENZOHEXAAZACYCLOHENI COSINE-3,24-DIONE; COMPOUND 31 |
| 31847 |  L87 CHEMBL2333603 ZINC000095587400 |
1 | C19 H21 N5 O2 | InChI=1S/C19H21N5O2/c1-4- 5-10-23-14(13-9-7-6-8-12( 13)2)11-24-15-16(20-18(23 )24)22(3)19(26)21-17(15)2 5/h6-9,11H,4-5,10H2,1-3H3 ,(H,21,25,26); KCEWOOVCWCPFCY-UHFFFAOYSA-N |
CCCCn1c(cn2c1nc3N(C)C(=O)NC(=O)c23)c4ccc cc4C; CCCCn1c(cn2c1nc3c2C(=O)NC(=O)N3C)c 4ccccc4C; O=C2c1n4c(nc1N(C(=O)N2)C)n(c(c 3ccccc3C)c4)CCCC |
8-butyl-1-methyl-7-(2-methylphenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione |
| 31848 |  L88 |
1 | C58 H66 N4 O11 S2 | InChI=1S/C58H66N4O11S2/c6 3-53(25-17-41-13-19-45(20 -14-41)51-37-47(39-74-51) 43-9-3-1-4-10-43)61-49(23 -27-55(65)66)57(69)59-29- 7-31-71-33-35-73-36-34-72 -32-8-30-60-58(70)50(24-2 8-56(67)68)62-54(64)26-18 -42-15-21-46(22-16-42)52- 38-48(40-75-52)44-11-5-2- 6-12-44/h1-6,9-16,19-22,3 7-40,49-50H,7-8,17-18,23- 36H2,(H,59,69)(H,60,70)(H ,61,63)(H,62,64)(H,65,66) (H,67,68)/t49-,50-/m1/s1; PAOWMYIFDMOPGM-CDKYPKJRSA-N |
c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)NC(C CC(=O)O)C(=O)NCCCOCCOCCOCCCNC(=O)C(CCC(= O)O)NC(=O)CCc4ccc(cc4)c5cc(cs5)c6ccccc6; O=C(O)CCC(NC(=O)CCc3ccc(c2scc(c1ccccc1) c2)cc3)C(=O)NCCCOCCOCCOCCCNC(=O)C(NC(=O) CCc6ccc(c5scc(c4ccccc4)c5)cc6)CCC(=O)O; c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@ H](CCC(=O)O)C(=O)NCCCOCCOCCOCCCNC(=O)[C@ @H](CCC(=O)O)NC(=O)CCc4ccc(cc4)c5cc(cs5) c6ccccc6; OC(=O)CC[CH](NC(=O)CCc1ccc(cc1 )c2scc(c2)c3ccccc3)C(=O)NCCCOCCOCCOCCCNC (=O)[CH](CCC(O)=O)NC(=O)CCc4ccc(cc4)c5sc c(c5)c6ccccc6; OC(=O)CC[C@@H](NC(=O)CCc1 ccc(cc1)c2scc(c2)c3ccccc3)C(=O)NCCCOCCOC COCCCNC(=O)[C@@H](CCC(O)=O)NC(=O)CCc4ccc (cc4)c5scc(c5)c6ccccc6 |
(4R,22R)-5,21-dioxo-4,22-bis({3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}amino)-10,13,16-trioxa-6,20-diazapentacosane-1,25-dioic acid |
| 31849 |  L89 CHEMBL354077 DB11640 ZINC000000164000 |
0 | C5 H7 N3 | InChI=1S/C5H7N3/c6-4-1-2- 8-3-5(4)7/h1-3H,7H2,(H2,6 ,8); OYTKINVCDFNREN-UHFFFAOYSA-N |
c1cncc(c1N)N; Nc1ccncc1N | pyridine-3,4-diamine |
| 31850 |  L8A CHEMBL3918723 |
2 | C26 H26 F7 N3 O5 S | InChI=1S/C26H26F7N3O5S/c1 -17(37)34-12-14-35(15-13- 34)22(38)36-11-10-23(16-3 6,42(40,41)21-8-6-20(27)7 -9-21)18-2-4-19(5-3-18)24 (39,25(28,29)30)26(31,32) 33/h2-9,39H,10-16H2,1H3/t 23-/m0/s1; LGFLFKROQCMBLV-QHCPKHFHSA-N |
CC(=O)N1CCN(CC1)C(=O)N2CC[C](C2)(c3ccc(c c3)C(O)(C(F)(F)F)C(F)(F)F)[S](=O)(=O)c4c cc(F)cc4; c1c(C(C(F)(F)F)(C(F)(F)F)O)ccc (c1)C3(CN(C(=O)N2CCN(C(=O)C)CC2)CC3)S(c4 ccc(F)cc4)(=O)=O; CC(=O)N1CCN(CC1)C(=O)N 2CCC(C2)(c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F) O)S(=O)(=O)c4ccc(cc4)F; CC(=O)N1CCN(CC1) C(=O)N2CC[C@](C2)(c3ccc(cc3)C(C(F)(F)F)( C(F)(F)F)O)S(=O)(=O)c4ccc(cc4)F; CC(=O)N 1CCN(CC1)C(=O)N2CC[C@](C2)(c3ccc(cc3)C(O )(C(F)(F)F)C(F)(F)F)[S](=O)(=O)c4ccc(F)c c4 |
1-(4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrrolidine-1-carbonyl}piperazin-1-yl)ethan-1-one |
| 31851 |  L8B CHEMBL3108881 ZINC000095921112 |
4 | C21 H22 N4 O5 | InChI=1S/C21H22N4O5/c1-13 -6-17(30-24-13)8-20(27)25 -11-16(26)7-18(25)21(28)2 3-9-14-2-4-15(5-3-14)19-1 0-22-12-29-19/h2-6,10,12, 16,18,26H,7-9,11H2,1H3,(H ,23,28)/t16-,18+/m1/s1; HFCLIEBJTGJKSV-AEFFLSMTSA-N |
Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NC c3ccc(cc3)c4cnco4)O; Cc1cc(CC(=O)N2C[C@H ](O)C[C@H]2C(=O)NCc3ccc(cc3)c4ocnc4)on1; Cc1cc(on1)CC(=O)N2CC(CC2C(=O)NCc3ccc(cc 3)c4cnco4)O; Cc1cc(CC(=O)N2C[CH](O)C[CH] 2C(=O)NCc3ccc(cc3)c4ocnc4)on1; O=C(N3C(C (=O)NCc2ccc(c1ocnc1)cc2)CC(O)C3)Cc4onc(c 4)C |
(4R)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-N-[4-(1,3-OXAZOL-5-YL)BENZYL]-L-PROLINAMIDE |
| 31852 |  L8C CHEMBL5203383 |
1 | C13 H19 N3 O2 | InChI=1S/C13H19N3O2/c1-15 -6-8-16(9-7-15)10-11-2-4- 12(5-3-11)13(17)14-18/h2- 5,18H,6-10H2,1H3,(H,14,17 ); VMDZCGSWWDTUMR-UHFFFAOYSA-N |
CN1CCN(CC1)Cc2ccc(cc2)C(=O)NO; ONC(=O)c1 ccc(cc1)CN1CCN(C)CC1 |
N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide |
| 31853 |  L8D CHEMBL5208359 |
2 | C23 H24 N6 O3 | InChI=1S/C23H24N6O3/c1-28 -18-13-24-20(32-2)12-15(1 8)8-9-16(23(28)31)25-22(3 0)21-26-19-11-10-17(29(19 )27-21)14-6-4-3-5-7-14/h3 -7,12-13,16-17H,8-11H2,1- 2H3,(H,25,30)/t16-,17-/m0 /s1; JXFYROJRZJPKTQ-IRXDYDNUSA-N |
CN1c2cnc(cc2CCC(C1=O)NC(=O)c3nc4n(n3)C(C C4)c5ccccc5)OC; COc1cc2CC[C@H](NC(=O)c3n n4[C@@H](CCc4n3)c5ccccc5)C(=O)N(C)c2cn1; c1c2c(cc(OC)n1)CCC(C(N2C)=O)NC(=O)c3nc5 n(n3)C(c4ccccc4)CC5; CN1c2cnc(cc2CC[C@@H ](C1=O)NC(=O)c3nc4n(n3)[C@@H](CC4)c5cccc c5)OC; COc1cc2CC[CH](NC(=O)c3nn4[CH](CCc 4n3)c5ccccc5)C(=O)N(C)c2cn1 |
(5S)-N-[(3S)-7-methoxy-1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepin-3-yl]-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide |
| 31854 |  L8F |
1 | C19 H26 N4 O2 | InChI=1S/C19H26N4O2/c1-14 (24)20-7-6-16-12-21-19-17 (4-3-5-18(16)19)13-22-8-1 0-23(11-9-22)15(2)25/h3-5 ,12,21H,6-11,13H2,1-2H3,( H,20,24); KKPILUQDBWPVTM-UHFFFAOYSA-N |
CC(=O)NCCc1c[nH]c2c(CN3CCN(CC3)C(C)=O)cc cc12; CC(=O)NCCc1c[NH]c2c(CN3CCN(CC3)C(C )=O)cccc21; CC(=O)NCCc1c[nH]c2c1cccc2CN3 CCN(CC3)C(=O)C |
N-(2-{7-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-3-yl}ethyl)acetamide |
| 31855 |  L8G CHEMBL3593413 ZINC000230838923 |
4 | C23 H31 N5 O3 S2 | InChI=1S/C23H31N5O3S2/c1- 14(2)19-20(30)26-15(7-4-5 -10-32)11-18(29)24-12-16- 8-6-9-17(25-16)21-28-23(3 ,13-33-21)22(31)27-19/h4, 6-9,14-15,19,32H,5,10-13H 2,1-3H3,(H,24,29)(H,26,30 )(H,27,31)/b7-4+/t15-,19+ ,23+/m1/s1; PFXMQZVRILDSDW-XUFAZQDHSA-N |
CC(C)C1C(=O)NC(CC(=O)NCc2cccc(n2)C3=NC(C S3)(C(=O)N1)C)C=CCCS; CC(C)[CH]1NC(=O)[C ]2(C)CSC(=N2)c3cccc(CNC(=O)C[CH](NC1=O)C =CCCS)n3; CC(C)[C@@H]1NC(=O)[C@]2(C)CSC( =N2)c3cccc(CNC(=O)C[C@H](NC1=O)\C=C\CCS) n3; CC(C)[C@H]1C(=O)N[C@@H](CC(=O)NCc2cc cc(n2)C3=N[C@@](CS3)(C(=O)N1)C)/C=C/CCS; O=C1NC(C(=O)NC(/C=C/CCS)CC(=O)NCc3nc(C2 =NC1(C)CS2)ccc3)C(C)C |
(5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,20,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione |
| 31856 |  L8H ZINC000000403090 |
0 | C11 H11 N O | InChI=1S/C11H11NO/c1-13-1 1-7-9(12)6-8-4-2-3-5-10(8 )11/h2-7H,12H2,1H3; SFKZPTYRENGBTJ-UHFFFAOYSA-N |
COc1cc(cc2c1cccc2)N; COc1cc(N)cc2ccccc12 ; O(c2cc(cc1ccccc12)N)C |
4-methoxynaphthalen-2-amine |
| 31857 |  L8I CHEMBL1233942 ZINC000058638744 |
1 | C23 H21 F N4 O | InChI=1S/C23H21FN4O/c1-28 -11-23(12-28)10-26-22(29) 19-15-7-6-13-9-25-18(14-4 -2-3-5-17(14)24)8-16(13)2 0(15)27-21(19)23/h2-5,8-9 ,27H,6-7,10-12H2,1H3,(H,2 6,29); XZZOJFOFCDHYRX-UHFFFAOYSA-N |
CN1CC2(C1)CNC(=O)c3c2[nH]c-4c3CCc5c4cc(n c5)c6ccccc6F; CN1CC2(CNC(=O)c3c4CCc5cnc( cc5c4[nH]c23)c6ccccc6F)C1; Fc1ccccc1c2nc c6c(c2)c5nc3c(C(=O)NCC34CN(C)C4)c5CC6 |
2'-(2-fluorophenyl)-1-methyl-6',8',9',11'-tetrahydrospiro[azetidine-3,10'-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin]-7'(5'H)-one |
| 31858 |  L8J CHEMBL4550875 |
3 | C10 H8 Br2 N O4 P | InChI=1S/C10H8Br2NO4P/c11 -6-2-7(12)10-5(4-18(15,16 )17)1-9(14)13-8(10)3-6/h1 -3H,4H2,(H,13,14)(H2,15,1 6,17); YMPWKSWKTYLHON-UHFFFAOYSA-N |
O[P](O)(=O)CC1=CC(=O)Nc2cc(Br)cc(Br)c12; c1c(cc(c2c1NC(=O)C=C2CP(=O)(O)O)Br)Br; c1(cc(Br)c2c(c1)NC(C=C2CP(O)(O)=O)=O)Br |
[(5,7-dibromo-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid |
| 31859 |  L8K CHEMBL5428133 |
10 | C19 H24 N2 O S2 | InChI=1S/C19H24N2OS2/c1-5 -6-14-16-13(10-23-14)8-7- 12-9-20-18(21-17(12)16)24 -11-15(22)19(2,3)4/h9-10H ,5-8,11H2,1-4H3; KUBOQSZSJIRZFQ-UHFFFAOYSA-N |
CCCc1c-2c(cs1)CCc3c2nc(nc3)SCC(=O)C(C)(C )C; CCCc1scc2CCc3cnc(SCC(=O)C(C)(C)C)nc3 c12; CC(C)(C)C(=O)CSc1nc2c(CCc3csc(CCC)c 23)cn1 |
3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one |
| 31860 |  L8L |
2 | C31 H38 N4 O4 S2 | InChI=1S/C31H38N4O4S2/c1- 3-12-34-19-26(22-4-5-27-2 4(15-22)20(2)17-35(27)18- 21-6-10-32-11-7-21)29-25( 31(34)37)16-28(40-29)30(3 6)33-23-8-13-41(38,39)14- 9-23/h4-5,15-17,19,21,23, 32H,3,6-14,18H2,1-2H3,(H, 33,36); VJSZEIHADFWXCN-UHFFFAOYSA-N |
CCCN1C=C(c2c(cc(s2)C(=O)NC3CCS(=O)(=O)CC 3)C1=O)c4ccc5c(c4)c(cn5CC6CCNCC6)C; CCCN 1C=C(c2ccc3n(CC4CCNCC4)cc(C)c3c2)c5sc(cc 5C1=O)C(=O)NC6CC[S](=O)(=O)CC6 |
~{N}-[1,1-bis(oxidanylidene)thian-4-yl]-7-[3-methyl-1-(piperidin-4-ylmethyl)indol-5-yl]-4-oxidanylidene-5-propyl-thieno[3,2-c]pyridine-2-carboxamide |
| 31861 |  L8M CHEMBL5193085 |
1 | C20 H26 F N7 | InChI=1S/C20H26FN7/c1-12- 11-22-8-9-28(12)19-24-17- 13(6-5-7-14(17)21)18(25-1 9)23-16-10-15(26-27-16)20 (2,3)4/h5-7,10,12,22H,8-9 ,11H2,1-4H3,(H2,23,24,25, 26,27)/t12-/m1/s1; DXXCCODWEPMLLB-GFCCVEGCSA-N |
C[CH]1CNCCN1c2nc(Nc3cc([nH]n3)C(C)(C)C)c 4cccc(F)c4n2; c34c(c(Nc1cc(C(C)(C)C)nn1) nc(N2C(C)CNCC2)n3)cccc4F; C[C@@H]1CNCCN1 c2nc(Nc3cc([nH]n3)C(C)(C)C)c4cccc(F)c4n2 ; C[C@@H]1CNCCN1c2nc3c(cccc3F)c(n2)Nc4cc ([nH]n4)C(C)(C)C; CC1CNCCN1c2nc3c(cccc3F )c(n2)Nc4cc([nH]n4)C(C)(C)C |
N-(5-tert-butyl-1H-pyrazol-3-yl)-8-fluoro-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine |
| 31862 |  L8N CHEMBL4474178 |
2 | C12 H12 N O5 P S | InChI=1S/C12H12NO5PS/c13- 20(16,17)12-8-6-10(7-9-12 )18-19(14,15)11-4-2-1-3-5 -11/h1-9H,(H,14,15)(H2,13 ,16,17); HADGOFIYAKWMTA-UHFFFAOYSA-N |
c1ccc(cc1)P(=O)(O)Oc2ccc(cc2)S(=O)(=O)N; N[S](=O)(=O)c1ccc(O[P](O)(=O)c2ccccc2)c c1 |
phenyl-(4-sulfamoylphenoxy)phosphinic acid |
| 31863 |  L8O |
1 | C18 H19 N O | InChI=1S/C18H19NO/c1-13-6 -5-8-15(10-13)18-12-19(14 (2)20)11-16-7-3-4-9-17(16 )18/h3-10,18H,11-12H2,1-2 H3/t18-/m1/s1; MQSDDXXCNVJVGH-GOSISDBHSA-N |
CC(=O)N1C[CH](c2cccc(C)c2)c3ccccc3C1; CC (=O)N1C[C@H](c2cccc(C)c2)c3ccccc3C1; Cc1 cccc(c1)[C@H]2CN(Cc3c2cccc3)C(=O)C; Cc1c ccc(c1)C1CN(Cc2ccccc21)C(C)=O; Cc1cccc(c 1)C2CN(Cc3c2cccc3)C(=O)C |
1-[(4R)-4-(3-methylphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one |
| 31864 |  L8P CHEMBL152 DB00369 ZINC000001530600 |
2 | C8 H14 N3 O6 P | InChI=1S/C8H14N3O6P/c9-7- 1-2-11(8(13)10-7)3-6(4-12 )17-5-18(14,15)16/h1-2,6, 12H,3-5H2,(H2,9,10,13)(H2 ,14,15,16)/t6-/m0/s1; VWFCHDSQECPREK-LURJTMIESA-N |
C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O; NC1= NC(=O)N(C[CH](CO)OC[P](O)(O)=O)C=C1; NC1 =NC(=O)N(C[C@@H](CO)OC[P](O)(O)=O)C=C1; O=P(O)(O)COC(CN1C=CC(=NC1=O)N)CO; C1=CN( C(=O)N=C1N)C[C@@H](CO)OCP(=O)(O)O |
({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid; Cidofovir |
| 31865 |  L8Q ZINC000000295034 |
1 | C7 H7 N O4 | InChI=1S/C7H7NO4/c1-12-7- 3-2-5(8(10)11)4-6(7)9/h2- 4,9H,1H3; KXKCTSZYNCDFFG-UHFFFAOYSA-N |
COc1ccc(cc1O)[N+](=O)[O-]; COc1ccc(cc1O) [N+]([O-])=O |
2-methoxy-5-nitro-phenol |
| 31866 |  L8R CHEMBL5434976 |
7 | C19 H24 N2 O S2 | InChI=1S/C19H24N2OS2/c1-5 -6-13-10-23-14-8-7-12-9-2 0-18(21-17(12)16(13)14)24 -11-15(22)19(2,3)4/h9-10H ,5-8,11H2,1-4H3; ZEOGXHOWWZZAJG-UHFFFAOYSA-N |
CC(C)(C)C(=O)CSc1ncc2CCc3scc(CCC)c3c2n1; CCCc1csc2CCc3cnc(SCC(=O)C(C)(C)C)nc3c12 ; CCCc1csc2c1-c3c(cnc(n3)SCC(=O)C(C)(C)C )CC2 |
3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}butan-2-one |
| 31867 |  L8S |
2 | C10 H15 N4 O14 P3 S | InChI=1S/C10H15N4O14P3S/c 15-5-3(1-25-29(19,20)27-3 0(21,22)28-31(23,24)32)26 -9(6(5)16)14-2-11-4-7(14) 12-10(18)13-8(4)17/h2-3,5 -6,9,15-16H,1H2,(H,19,20) (H,21,22)(H2,23,24,32)(H2 ,12,13,17,18)/t3-,5-,6+,9 +/m0/s1; IAOZVDCRMYYKMQ-BZKDHIKHSA-N |
O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P] (O)(=O)O[P](O)(O)=S)n2cnc3C(=O)NC(=O)Nc2 3; N2C(Nc1n(cnc1C2=O)C3C(O)C(O)C(COP(O)( =O)OP(O)(=O)OP(O)(O)=S)O3)=O; c1nc2c(n1C 3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O) O)O)NC(=O)NC2=O; c1nc2c(n1[C@H]3[C@@H]([ C@H]([C@@H](O3)COP(=O)(O)OP(=O)(O)OP(=S) (O)O)O)O)NC(=O)NC2=O; O[C@@H]1[C@@H](O)[ C@@H](O[C@H]1CO[P](O)(=O)O[P](O)(=O)O[P] (O)(O)=S)n2cnc3C(=O)NC(=O)Nc23 |
9-{5-O-[(S)-hydroxy{[(R)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-L-arabinofuranosyl}-3,9-dihydro-1H-purine-2,6-dione |
| 31868 |  L8T |
3 | C18 H21 N O5 S | InChI=1S/C18H21NO5S/c1-2- 24-18(23)14-12-6-3-4-9-13 (12)25-16(14)19-15(20)10- 7-5-8-11(10)17(21)22/h2-9 H2,1H3,(H,19,20)(H,21,22); KMYGWMFALCXVML-UHFFFAOYSA-N |
CCOC(=O)c1c2CCCCc2sc1NC(=O)C3=C(CCC3)C(O )=O; O=C(O)C=1CCCC=1C(=O)Nc1sc2CCCCc2c1C (=O)OCC; CCOC(=O)c1c2c(sc1NC(=O)C3=C(CCC 3)C(=O)O)CCCC2 |
2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid |
| 31869 |  L8U |
4 | C8 H6 Br2 O2 | InChI=1S/C8H6Br2O2/c9-4-8 (12)6-2-1-5(10)3-7(6)11/h 1-3,11H,4H2; MGBNHYHFAXNJLU-UHFFFAOYSA-N |
Oc1cc(Br)ccc1C(=O)CBr; c1cc(c(cc1Br)O)C( =O)CBr |
2-bromanyl-1-(4-bromanyl-2-oxidanyl-phenyl)ethanone |
| 31870 |  L8V CHEMBL1097142 ZINC000044460256 |
1 | C23 H16 F3 N5 O2 | InChI=1S/C23H16F3N5O2/c24 -13-3-5-19(17(25)10-13)31 -23(32)16-2-1-8-29-22(16) 30-14-4-6-20(18(26)11-14) 33-15-7-9-28-21(27)12-15/ h1-12H,(H2,27,28)(H,29,30 )(H,31,32); VPOULRXFJKYXDN-UHFFFAOYSA-N |
Nc1cc(Oc2ccc(Nc3ncccc3C(=O)Nc4ccc(F)cc4F )cc2F)ccn1; c1cc(c(nc1)Nc2ccc(c(c2)F)Oc3 ccnc(c3)N)C(=O)Nc4ccc(cc4F)F |
2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide |
| 31871 |  L8W |
1 | C29 H17 Cl Fe N5 O S | InChI=1S/C24H17ClN5OS.C5H .Fe/c1-13-14(2)32-24-21(1 3)22(16-8-10-17(25)11-9-1 6)27-19(23-29-28-15(3)30( 23)24)12-20(31)26-18-6-4- 5-7-18;1-2-4-5-3-1;/h8-11 ,19H,12H2,1-3H3,(H,26,31) ;1H;/t19-;;/m0../s1; NJZJPWNUSUAFBI-TXEPZDRESA-N |
Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)N C45C6=C7[Fe]6489123(C7=C85)C4=C9[C]1C2=C 34)c1ccc(cc1)Cl)C; [Fe].Cc1sc2n3c(C)nnc3 [CH](CC(=O)NC4C=CC=C4)N=C(c5ccc(Cl)cc5)c 2c1C.C6C=CC=C6; Cc1c(sc-2c1C(=NC(c3n2c(n n3)C)CC(=O)NC45C6=C7[Fe]6489123(C7=C85)C 4=C9[C]1C2=C34)c1ccc(cc1)Cl)C; [Fe].Cc1s c2n3c(C)nnc3[C@H](CC(=O)NC4C=CC=C4)N=C(c 5ccc(Cl)cc5)c2c1C.C6C=CC=C6 |
(+)-JD1 |
| 31872 |  L8X CHEMBL4747331 ZINC000002094071 |
4 | C23 H21 Cl N2 O5 | InChI=1S/C23H21ClN2O5/c1- 30-22(28)14-9-7-13(8-10-1 4)21-20-16(15-5-3-4-6-17( 15)25-20)11-18(23(29)31-2 )26(21)19(27)12-24/h3-10, 18,21,25H,11-12H2,1-2H3/t 18-,21+/m1/s1; TXJZRSRTYPUYRW-NQIIRXRSSA-N |
COC(=O)c1ccc(cc1)C2c3c(c4ccccc4[nH]3)CC( N2C(=O)CCl)C(=O)OC; COC(=O)[CH]1Cc2c([nH ]c3ccccc23)[CH](N1C(=O)CCl)c4ccc(cc4)C(= O)OC; COC(=O)c1ccc(cc1)[C@H]2c3c(c4ccccc 4[nH]3)C[C@@H](N2C(=O)CCl)C(=O)OC; COC(= O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](N1C(=O )CCl)c4ccc(cc4)C(=O)OC; O=C(OC)c1ccc(cc1 )C1c2[NH]c3ccccc3c2CC(C(=O)OC)N1C(=O)CCl |
methyl (1S,3R)-2-(chloroacetyl)-1-[4-(methoxycarbonyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate |
| 31873 |  L8Y CHEMBL4537678 |
2 | C19 H17 F N6 O2 | InChI=1S/C19H17FN6O2/c1-2 2-19(28)13-10-24-17(26-16 -7-6-11(20)9-23-16)8-15(1 3)25-14-5-3-2-4-12(14)18( 21)27/h2-10H,1H3,(H2,21,2 7)(H,22,28)(H2,23,24,25,2 6); FFYLSLMDLCQSRS-UHFFFAOYSA-N |
CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc3ccccc3C( N)=O; c1cc(cnc1Nc2ncc(c(c2)Nc3c(cccc3)C( =O)N)C(NC)=O)F; CNC(=O)c1cnc(cc1Nc2ccccc 2C(=O)N)Nc3ccc(cn3)F |
4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-N-methylpyridine-3-carboxamide |
| 31874 |  L8Z |
26 | C102 H182 N2 O32 P2 | InChI=1S/C102H182N2O32P2/ c1-7-13-19-25-31-37-38-44 -50-56-62-68-88(113)129-8 0(66-60-54-48-42-35-29-23 -17-11-5)72-90(115)133-98 -92(104-86(111)71-79(65-5 9-53-47-41-34-28-22-16-10 -4)128-87(112)67-61-55-49 -43-36-30-24-18-12-6)99(1 31-84(96(98)135-137(120,1 21)122)76-127-102(101(118 )119)73-81(108)93(116)95( 134-102)82(109)74-105)126 -75-83-94(117)97(132-89(1 14)70-78(107)64-58-52-46- 40-33-27-21-15-9-3)91(100 (130-83)136-138(123,124)1 25)103-85(110)69-77(106)6 3-57-51-45-39-32-26-20-14 -8-2/h14,20,42,48,52-53,5 8-59,77-84,91-100,105-109 ,116-117H,7-13,15-19,21-4 1,43-47,49-51,54-57,60-76 H2,1-6H3,(H,103,110)(H,10 4,111)(H,118,119)(H2,120, 121,122)(H2,123,124,125)/ b20-14+,48-42+,58-52+,59- 53+/t77-,78-,79-,80-,81-, 82-,83-,84-,91-,92-,93-,9 4-,95-,96-,97-,98-,99-,10 0-,102-/m1/s1; NOEIKEOYYQLMFH-XTQPGWFYSA-N |
CCCCCCCCCCCCCC(=O)OC(CCCC=CCCCCCC)CC(=O) OC1C(C(OC(C1OP(=O)(O)O)COC2(CC(C(C(O2)C( CO)O)O)O)C(=O)O)OCC3C(C(C(C(O3)OP(=O)(O) O)NC(=O)CC(CCCCCCCC=CCC)O)OC(=O)CC(CC=CC CCCCCCC)O)O)NC(=O)CC(CC=CCCCCCCCC)OC(=O) CCCCCCCCCCC; CCCCCCCCCCCCCC(=O)O[C@H](CC C/C=C/CCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O) C[C@@H](C/C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC )[C@H](OC[C@H]2O[C@H](O[P](O)(O)=O)[C@H] (NC(=O)C[C@H](O)CCCCCCC/C=C/CC)[C@@H](OC (=O)C[C@H](O)C/C=C/CCCCCCCC)[C@@H]2O)O[C @H](CO[C@@]3(C[C@@H](O)[C@@H](O)[C@H](O3 )[C@H](O)CO)C(O)=O)[C@H]1O[P](O)(O)=O; C CCCCCCCCCCCCC(=O)O[C@H](CCC/C=C/CCCCCC)C C(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1 OP(=O)(O)O)CO[C@@]2(C[C@H]([C@H]([C@H](O 2)[C@@H](CO)O)O)O)C(=O)O)OC[C@@H]3[C@H]( [C@@H]([C@H]([C@H](O3)OP(=O)(O)O)NC(=O)C [C@@H](CCCCCCC/C=C/CC)O)OC(=O)C[C@@H](C/ C=C/CCCCCCCC)O)O)NC(=O)C[C@@H](C/C=C/CCC CCCCC)OC(=O)CCCCCCCCCCC; CCCCCCCCCCCCCC( =O)O[CH](CCCC=CCCCCCC)CC(=O)O[CH]1[CH](N C(=O)C[CH](CC=CCCCCCCCC)OC(=O)CCCCCCCCCC C)[CH](OC[CH]2O[CH](O[P](O)(O)=O)[CH](NC (=O)C[CH](O)CCCCCCCC=CCC)[CH](OC(=O)C[CH ](O)CC=CCCCCCCCC)[CH]2O)O[CH](CO[C]3(C[C H](O)[CH](O)[CH](O3)[CH](O)CO)C(O)=O)[CH ]1O[P](O)(O)=O |
(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(~{E},3~{R})-3-dodecanoyloxytetradec-5-enoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(~{E},3~{R})-3-oxidanyltetradec-11-enoyl]amino]-4-[(~{E},3~{R})-3-oxidanyltetradec-5-enoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(~{E},3~{R})-3-tetradecanoyloxytetradec-7-enoyl]oxy-oxan-2-yl]methoxy]-4,5-bis(oxidanyl)oxane-2-carboxylic acid |
| 31875 |  L90 CHEMBL3774978 ZINC000095921223 |
1 | C20 H21 N7 O2 | InChI=1S/C20H21N7O2/c1-4- 5-8-26-14(15-11(2)6-7-13- 12(15)9-21-24-13)10-27-16 -17(22-19(26)27)25(3)20(2 9)23-18(16)28/h6-7,9-10H, 4-5,8H2,1-3H3,(H,21,24)(H ,23,28,29); DQROUBDXZUEWBE-UHFFFAOYSA-N |
CCCCn1c(cn2c1nc3c2C(=O)NC(=O)N3C)c4c(ccc 5c4cn[nH]5)C; CCCCn1c(cn2c1nc3N(C)C(=O)N C(=O)c23)c4c(C)ccc5[nH]ncc45; O=C5c1c(nc 4n1cc(c2c(ccc3c2cnn3)C)n4CCCC)N(C(=O)N5) C |
8-butyl-1-methyl-7-(5-methyl-1H-indazol-4-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione |
| 31876 |  L91 CHEMBL4526283 |
2 | C19 H18 F N5 O3 S | InChI=1S/C19H18FN5O3S/c1- 21-19(26)13-11-23-18(25-1 7-8-7-12(20)10-22-17)9-15 (13)24-14-5-3-4-6-16(14)2 9(2,27)28/h3-11H,1-2H3,(H ,21,26)(H2,22,23,24,25); SYYQNYIBIFOCPS-UHFFFAOYSA-N |
CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc3ccccc3[S ](C)(=O)=O; c1cc(cnc1Nc2ncc(c(c2)Nc3c(cc cc3)S(C)(=O)=O)C(NC)=O)F; CNC(=O)c1cnc(c c1Nc2ccccc2S(=O)(=O)C)Nc3ccc(cn3)F |
6-[(5-fluoropyridin-2-yl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide |
| 31877 |  L92 CHEMBL477095 ZINC000035999854 |
1 | C26 H26 N2 O3 | InChI=1S/C26H26N2O3/c1-19 -23(27-25(31-19)22-9-3-2- 4-10-22)11-7-8-20-12-14-2 1(15-13-20)18-24(26(29)30 )28-16-5-6-17-28/h2-6,9-1 0,12-17,24H,7-8,11,18H2,1 H3,(H,29,30)/t24-/m0/s1; QPJVYLQOALFBLJ-DEOSSOPVSA-N |
Cc1oc(nc1CCCc2ccc(C[CH](n3cccc3)C(O)=O)c c2)c4ccccc4; Cc1c(nc(o1)c2ccccc2)CCCc3cc c(cc3)C[C@@H](C(=O)O)n4cccc4; Cc1c(nc(o1 )c2ccccc2)CCCc3ccc(cc3)CC(C(=O)O)n4cccc4 ; O=C(O)C(n1cccc1)Cc2ccc(cc2)CCCc3nc(oc3 C)c4ccccc4; Cc1oc(nc1CCCc2ccc(C[C@H](n3c ccc3)C(O)=O)cc2)c4ccccc4 |
(2S)-3-{4-[3-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)PROPYL]PHENYL}-2-(1H-PYRROL-1-YL)PROPANOIC ACID |
| 31878 |  L93 |
1 | C20 H19 F N2 O4 | InChI=1S/C20H19FN2O4/c1-1 2(27-18-6-4-3-5-17(18)26- 2)11-22-20(25)15-10-19(24 )23-16-8-7-13(21)9-14(15) 16/h3-10,12H,11H2,1-2H3,( H,22,25)(H,23,24)/t12-/m1 /s1; LZQQUMOUOYPMFQ-GFCCVEGCSA-N |
CC(CNC(=O)C1=CC(=O)Nc2c1cc(cc2)F)Oc3cccc c3OC; COc1ccccc1OC(C)CNC(=O)C1=CC(=O)Nc2 ccc(F)cc21; C[C@H](CNC(=O)C1=CC(=O)Nc2c1 cc(cc2)F)Oc3ccccc3OC; COc1ccccc1O[CH](C) CNC(=O)C2=CC(=O)Nc3ccc(F)cc23; COc1ccccc 1O[C@H](C)CNC(=O)C2=CC(=O)Nc3ccc(F)cc23 |
6-fluoro-N-[(2R)-2-(2-methoxyphenoxy)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide |
| 31879 |  L94 |
0 | C18 H36 N6 | InChI=1S/C18H32N6/c1-23(2 )13-5-11-21-17(19)15-7-9- 16(10-8-15)18(20)22-12-6- 14-24(3)4/h7-10H,5-6,11-1 4H2,1-4H3,(H2,19,21)(H2,2 0,22)/p+4; QAWYYAYHHZQCLB-UHFFFAOYSA-R |
C[NH+](C)CCC[NH+]=C(c1ccc(cc1)/C(=[NH+]/ CCC[NH+](C)C)/N)N; C(/c1ccc(C(/N)=[NH+]/ CCC[NH+](C)C)cc1)(=[NH+]\CCC[NH+](C)C)N; C[NH+](C)CCC[NH+]=C(c1ccc(cc1)C(=[NH+]C CC[NH+](C)C)N)N; C[NH+](C)CCC[NH+]=C(N)c 1ccc(cc1)C(N)=[NH+]CCC[NH+](C)C |
N'-{(Z)-amino[4-(amino{[3-(dimethylammonio)propyl]iminio}methyl)phenyl]methylidene}-N,N-dimethylpropane-1,3-diaminium |
| 31880 |  L95 |
2 | C32 H55 N O7 | InChI=1S/C32H55NO7/c1-9-1 0-11-22(5)31(40-32(33)38) 25(8)30(37)24(7)17-19(2)1 6-23(6)29(36)21(4)12-14-2 6(34)18-27-20(3)13-15-28( 35)39-27/h10-12,14,16,20- 27,29-31,34,36-37H,9,13,1 5,17-18H2,1-8H3,(H2,33,38 )/b11-10-,14-12-,19-16-/t 20-,21+,22+,23+,24+,25+,2 6-,27+,29+,30-,31+/m1/s1; XRDTVASNFUHSII-UZNMEARNSA-N |
CCC=CC(C)C(C(C)C(C(C)CC(=CC(C)C(C(C)C=CC (CC1C(CCC(=O)O1)C)O)O)C)O)OC(=O)N; CC/C= C\[C@H](C)[C@@H]([C@@H](C)[C@@H]([C@@H]( C)C/C(=C\[C@H](C)[C@H]([C@@H](C)/C=C\[C@ H](C[C@H]1[C@@H](CCC(=O)O1)C)O)O)/C)O)OC (=O)N; CC\C=C/[C@H](C)[C@H](OC(N)=O)[C@@ H](C)[C@H](O)[C@@H](C)C\C(C)=C/[C@H](C)[ C@@H](O)[C@@H](C)\C=C/[C@@H](O)C[C@@H]1O C(=O)CC[C@H]1C; CCC=C[CH](C)[CH](OC(N)=O )[CH](C)[CH](O)[CH](C)CC(C)=C[CH](C)[CH] (O)[CH](C)C=C[CH](O)C[CH]1OC(=O)CC[CH]1C |
[(3~{Z},5~{S},6~{S},7~{S},8~{R},9~{S},11~{Z},13~{S},14~{S},15~{S},16~{Z},18~{S})-5,7,9,11,13,15-hexamethyl-19-[(2~{S},3~{R})-3-methyl-6-oxidanylidene-oxan-2-yl]-8,14,18-tris(oxidanyl)nonadeca-3,11,16-trien-6-yl] carbamate |
| 31881 |  L96 CHEMBL3814634 ZINC000584905598 |
1 | C28 H31 N3 O3 | InChI=1S/C28H31N3O3/c1-16 (2)34-22-7-5-6-21(14-22)2 8-27(26-17(3)29-30-18(26) 4)23-15-20(19-8-9-19)10-1 1-24(23)31(28)13-12-25(32 )33/h5-7,10-11,14-16,19H, 8-9,12-13H2,1-4H3,(H,29,3 0)(H,32,33); YBEJGNSQZJLYDL-UHFFFAOYSA-N |
O=C(O)CCn1c5c(c(c1c2cccc(c2)OC(C)C)c3c(n nc3C)C)cc(C4CC4)cc5; CC(C)Oc1cccc(c1)c2n (CCC(O)=O)c3ccc(cc3c2c4c(C)[nH]nc4C)C5CC 5; Cc1c(c(n[nH]1)C)c2c3cc(ccc3n(c2c4cccc (c4)OC(C)C)CCC(=O)O)C5CC5 |
3-{5-cyclopropyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(propan-2-yloxy)phenyl]-1H-indol-1-yl}propanoic acid |
| 31882 |  L97 CHEMBL4639717 ZINC000000164466 |
1 | C5 H5 Cl N2 | InChI=1S/C5H5ClN2/c6-5-4( 7)2-1-3-8-5/h1-3H,7H2; MEQBJJUWDCYIAB-UHFFFAOYSA-N |
Nc1cccnc1Cl; c1cc(c(nc1)Cl)N | 2-chloranylpyridin-3-amine |
| 31883 |  L98 DB04723 ZINC000016051731 |
3 | C10 H13 N3 O2 S | InChI=1S/C10H13N3O2S/c11- 10(12)13-7-3-1-2-6(4-7)8( 5-16)9(14)15/h1-4,8,16H,5 H2,(H,14,15)(H4,11,12,13) /t8-/m1/s1; YHBCRXAIIVZWEW-MRVPVSSYSA-N |
NC(=N)Nc1cccc(c1)[C@@H](CS)C(O)=O; O=C(O )C(c1cc(NC(=[N@H])N)ccc1)CS; c1cc(cc(c1) NC(=N)N)[C@@H](CS)C(=O)O; NC(=N)Nc1cccc( c1)[CH](CS)C(O)=O; c1cc(cc(c1)NC(=N)N)C( CS)C(=O)O |
(2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-SULFANYLPROPANOIC ACID; 2-(3-GUANIDINOPHENYL)-3-MERCAPTOPROPANOIC ACID |
| 31884 |  L99 ZINC000000156533 |
1 | C7 H10 N4 O | InChI=1S/C7H10N4O/c8-5-2- 1-4(3-6(5)9)7(12)11-10/h1 -3H,8-10H2,(H,11,12); YGCXQTYRSKMILM-UHFFFAOYSA-N |
NNC(=O)c1ccc(N)c(N)c1; c1cc(c(cc1C(=O)NN )N)N |
3,4-bis(azanyl)benzohydrazide |
| 31885 |  L9A CHEMBL4438202 |
2 | C18 H20 N4 O4 S | InChI=1S/C18H20N4O4S/c1-1 9-18(24)12-10-20-16(22-17 (23)11-7-8-11)9-14(12)21- 13-5-3-4-6-15(13)27(2,25) 26/h3-6,9-11H,7-8H2,1-2H3 ,(H,19,24)(H2,20,21,22,23 ); YGFJMLGZTAWLOO-UHFFFAOYSA-N |
CNC(=O)c1cnc(NC(=O)C2CC2)cc1Nc3ccccc3[S] (C)(=O)=O; CNC(=O)c1cnc(cc1Nc2ccccc2S(=O )(=O)C)NC(=O)C3CC3; c3(c(Nc2c(cnc(NC(C1C C1)=O)c2)C(NC)=O)cccc3)S(C)(=O)=O |
6-[(cyclopropanecarbonyl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide |
| 31886 |  L9B CHEMBL316582 ZINC000013825339 |
2 | C10 H15 N O3 S | InChI=1S/C10H15NO3S/c11-1 5(13,14)10-6-4-9(5-7-10)3 -1-2-8-12/h4-7,12H,1-3,8H 2,(H2,11,13,14); NCRQTZXHMKBWLU-UHFFFAOYSA-N |
N[S](=O)(=O)c1ccc(CCCCO)cc1; c1cc(ccc1CC CCO)S(=O)(=O)N |
4-(4-oxidanylbutyl)benzenesulfonamide |
| 31887 |  L9C ZINC000003034974 |
1 | C23 H22 Cl2 N2 O3 S | InChI=1S/C23H22Cl2N2O3S/c 1-30-19-10-9-17(14-18(19) 25)27(21(28)15-24)22(20-8 -5-13-31-20)23(29)26-12-1 1-16-6-3-2-4-7-16/h2-10,1 3-14,22H,11-12,15H2,1H3,( H,26,29)/t22-/m0/s1; UNVKYJSNMVDZJE-QFIPXVFZSA-N |
COc1ccc(cc1Cl)N([C@@H](c2cccs2)C(=O)NCCc 3ccccc3)C(=O)CCl; COc1ccc(cc1Cl)N([C@H]( C(=O)NCCc2ccccc2)c3sccc3)C(=O)CCl; COc1c cc(cc1Cl)N([CH](C(=O)NCCc2ccccc2)c3sccc3 )C(=O)CCl; O=C(CCl)N(C(c1cccs1)C(=O)NCCc 1ccccc1)c1ccc(OC)c(Cl)c1; COc1ccc(cc1Cl) N(C(c2cccs2)C(=O)NCCc3ccccc3)C(=O)CCl |
2-chloro-N-(3-chloro-4-methoxyphenyl)-N-[(1R)-2-oxo-2-[(2-phenylethyl)amino]-1-(thiophen-2-yl)ethyl]acetamide |
| 31888 |  L9D |
2 | C7 H13 N O6 | InChI=1S/C7H13NO6/c8-2-1( 7(13)14)3(9)5(11)6(12)4(2 )10/h1-6,9-12H,8H2,(H,13, 14)/t1-,2+,3+,4-,5-,6-/m0 /s1; POIWYXZEYSYIEW-HOZKJCLWSA-N |
N[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1C (O)=O; C1(C(C(C(C(C1O)O)O)O)N)C(=O)O; [C @H]1([C@H]([C@@H]([C@H](C([C@@H]1N)O)O)O )O)C(=O)O; N[C@H]1[C@H](O)[C@H](O)[C@@H] (O)[C@H](O)[C@H]1C(O)=O; C1(C(C(C(C(C1N) C(O)=O)O)O)O)O |
(1S,2R,3S,4S,5S,6R)-2-amino-3,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid; cyclophellitol-aziridine, open form |
| 31889 |  L9E |
1 | C21 H25 F N4 O2 | InChI=1S/C21H25FN4O2/c1-2 5(12-5-11-23)20(27)15-6-4 -7-16(14-15)24-18-10-13-2 6(21(18)28)19-9-3-2-8-17( 19)22/h2-4,6-9,14,18,24H, 5,10-13,23H2,1H3/t18-/m0/ s1; FKBZAUSZYONVAZ-SFHVURJKSA-N |
CN(CCCN)C(=O)c1cccc(c1)N[C@H]2CCN(C2=O)c 3ccccc3F; CN(CCCN)C(=O)c1cccc(N[CH]2CCN( C2=O)c3ccccc3F)c1; CN(CCCN)C(=O)c1cccc(c 1)NC2CCN(C2=O)c3ccccc3F; CN(CCCN)C(=O)c1 cccc(N[C@H]2CCN(C2=O)c3ccccc3F)c1 |
N-(3-azanylpropyl)-3-[[(3S)-1-(2-fluorophenyl)-2-oxidanylidene-pyrrolidin-3-yl]amino]-N-methyl-benzamide; (S)-N-(3-aminopropyl)-3-((1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl)amino)-N-methylbenzamide |
| 31890 |  L9F |
1 | C14 H10 Cl N3 O2 | InChI=1S/C14H10ClN3O2/c15 -10-4-1-5-11(7-10)18-13(1 9)12(17-14(18)20)9-3-2-6- 16-8-9/h1-8,12H,(H,17,20) /t12-/m1/s1; GSEMEGPVJJVGNC-GFCCVEGCSA-N |
Clc1cccc(c1)N2C(=O)N[CH](c3cccnc3)C2=O; c1cc(cc(c1)Cl)N2C(=O)[C@H](NC2=O)c3cccnc 3; c1cc(cc(c1)Cl)N2C(=O)C(NC2=O)c3cccnc3 ; Clc1cccc(c1)N2C(=O)N[C@H](c3cccnc3)C2= O; Clc1cccc(c1)N1C(=O)C(NC1=O)c1cccnc1 |
(3P,5R)-3-(3-chlorophenyl)-5-(pyridin-3-yl)imidazolidine-2,4-dione |
| 31891 |  L9G ZINC000035967902 |
1 | C22 H18 F2 N4 O | InChI=1S/C22H18F2N4O/c1-1 3-2-5-16(21(25)29)10-18(1 3)22-27-26-20-9-4-14(12-2 8(20)22)3-6-15-7-8-17(23) 11-19(15)24/h2,4-5,7-12H, 3,6H2,1H3,(H2,25,29); IECIDZDLEJWPAN-UHFFFAOYSA-N |
Cc1ccc(cc1c2nnc3ccc(CCc4ccc(F)cc4F)cn23) C(N)=O; Cc1ccc(cc1c2nnc3n2cc(cc3)CCc4ccc (cc4F)F)C(=O)N; Fc1ccc(c(F)c1)CCc3ccc4nn c(c2cc(C(=O)N)ccc2C)n4c3 |
3-{6-[2-(2,4-difluorophenyl)ethyl][1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-methylbenzamide |
| 31892 |  L9H |
1 | C45 H89 O12 P | InChI=1S/C45H89O12P/c1-3- 5-7-9-11-13-15-17-19-21-2 3-25-27-29-31-33-35-54-36 -38(37-55-58(52,53)57-45- 43(50)41(48)40(47)42(49)4 4(45)51)56-39(46)34-32-30 -28-26-24-22-20-18-16-14- 12-10-8-6-4-2/h38,40-45,4 7-51H,3-37H2,1-2H3,(H,52, 53)/t38-,40-,41-,42+,43-, 44-,45-/m1/s1; DCGQAFILALMHKI-ZUOUNGDVSA-N |
CCCCCCCCCCCCCCCCCCOC[CH](CO[P](O)(=O)O[C H]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC (=O)CCCCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCC COC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@ H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC CC; CCCCCCCCCCCCCCCCCCOC[C@H](CO[P](O)(= O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H] (O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCC; CCCC CCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C(C(C(C(C 1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC |
[(2~{R})-1-octadecoxy-3-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] octadecanoate |
| 31893 |  L9I ZINC000012345800 |
19 | C6 H9 N O4 | InChI=1S/C6H9NO4/c1-3-11- 6(9)5(7-10)4(2)8/h10H,3H2 ,1-2H3/b7-5-; IACSYDRIOYGJNH-ALCCZGGFSA-N |
CCOC(=O)C(=N/O)\C(C)=O; CCOC(=O)/C(=N\O) /C(=O)C; CCOC(=O)C(=NO)C(C)=O; CCOC(=O)C (=NO)C(=O)C |
ethyl (2Z)-2-hydroxyimino-3-oxidanylidene-butanoate |
| 31894 |  L9J CHEMBL4590489 |
1 | C40 H54 F2 N6 O9 S | InChI=1S/C40H54F2N6O9S/c1 -7-23-29-20-48(30(23)33(4 9)46-40(19-24(40)32(41)42 )36(51)47-58(53,54)39(5)1 5-16-39)35(50)31(38(2,3)4 )45-37(52)57-28-17-21(28) 11-9-8-10-12-26-34(56-29) 44-27-18-22(55-6)13-14-25 (27)43-26/h13-14,18,21,23 -24,28-32H,7-12,15-17,19- 20H2,1-6H3,(H,45,52)(H,46 ,49)(H,47,51)/t21-,23-,24 +,28-,29+,30+,31-,40-/m1/ s1; DPVUWLGHRRXAAN-SWWTZLGTSA-N |
CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]3(C [C@H]3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C)C(=O )[C@@H](NC(=O)O[C@@H]5C[C@H]5CCCCCc6c(nc 7cc(ccc7n6)OC)O2)C(C)(C)C; CC[CH]1[CH]2C [N]([CH]1C(=O)N[C]3(C[CH]3C(F)F)C(=O)N[S ](=O)(=O)C4(C)CC4)C(=O)[CH](NC(=O)O[CH]5 C[CH]5CCCCCc6nc7ccc(OC)cc7nc6O2)C(C)(C)C ; CC[C@@H]1[C@@H]2C[N@]([C@@H]1C(=O)N[C@ @]3(C[C@H]3C(F)F)C(=O)N[S](=O)(=O)C4(C)C C4)C(=O)[C@@H](NC(=O)O[C@@H]5C[C@H]5CCCC Cc6nc7ccc(OC)cc7nc6O2)C(C)(C)C; C34CN(C( C(=O)NC2(C(NS(C1(CC1)C)(=O)=O)=O)C(C(F)F )C2)C3CC)C(C(C(C)(C)C)NC(=O)OC7C(CCCCCc6 c(O4)nc5cc(OC)ccc5n6)C7)=O; CCC1C2CN(C1C (=O)NC3(CC3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C )C(=O)C(NC(=O)OC5CC5CCCCCc6c(nc7cc(ccc7n 6)OC)O2)C(C)(C)C |
(1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide |
| 31895 |  L9K CHEMBL5988589 |
0 | C21 H17 N5 O3 S | InChI=1S/C21H17N5O3S/c1-3 0(27,28)16-7-5-14(6-8-16) 18-12-23-21(26-13-24-25-2 0(18)26)22-11-15-3-2-4-19 -17(15)9-10-29-19/h2-10,1 2-13H,11H2,1H3,(H,22,23); ZCKREKXDGMDDHF-UHFFFAOYSA-N |
CS(=O)(=O)c1ccc(cc1)C2=CNC(=NCc3cccc4c3c co4)n5c2nnc5; C[S](=O)(=O)c1ccc(cc1)C2=C NC(=NCc3cccc4occc34)n5cnnc25; CS(=O)(=O) c1ccc(cc1)C2=CN/C(=N\Cc3cccc4c3cco4)/n5c 2nnc5 |
(~{E})-~{N}-(1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-6~{H}-[1,2,4]triazolo[4,3-c]pyrimidin-5-imine |
| 31896 |  L9L CHEMBL1081831 ZINC000049035433 |
2 | C21 H19 F3 N4 O S | InChI=1S/C21H19F3N4OS/c22 -21(23,24)15-4-1-12(2-5-1 5)7-16(25)10-26-20-27-11- 18(30-20)13-3-6-17-14(8-1 3)9-19(29)28-17/h1-6,8,11 ,16H,7,9-10,25H2,(H,26,27 )(H,28,29)/t16-/m0/s1; XPPKIHZJFAAJLB-INIZCTEOSA-N |
c1cc(ccc1CC(CNc2ncc(s2)c3ccc4c(c3)CC(=O) N4)N)C(F)(F)F; N[C@H](CNc1sc(cn1)c2ccc3N C(=O)Cc3c2)Cc4ccc(cc4)C(F)(F)F; FC(F)(F) c1ccc(cc1)CC(N)CNc2ncc(s2)c4ccc3NC(=O)Cc 3c4; c1cc(ccc1C[C@@H](CNc2ncc(s2)c3ccc4c (c3)CC(=O)N4)N)C(F)(F)F; N[CH](CNc1sc(cn 1)c2ccc3NC(=O)Cc3c2)Cc4ccc(cc4)C(F)(F)F |
5-[2-({(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2H-indol-2-one |
| 31897 |  L9M ZINC000035967385 |
2 | C20 H22 N6 S | InChI=1S/C20H22N6S/c1-12- 3-5-14(6-4-12)9-16(21)11- 22-20-26-25-19(27-20)15-7 -8-18-17(10-15)13(2)23-24 -18/h3-8,10,16H,9,11,21H2 ,1-2H3,(H,22,26)(H,23,24) /t16-/m0/s1; RJESZRNJZYVXEA-INIZCTEOSA-N |
Cc1ccc(cc1)CC(CNc2nnc(s2)c3ccc4c(c3)c(n[ nH]4)C)N; Cc1ccc(C[C@H](N)CNc2sc(nn2)c3c cc4[nH]nc(C)c4c3)cc1; Cc1ccc(cc1)C[C@@H] (CNc2nnc(s2)c3ccc4c(c3)c(n[nH]4)C)N; Cc1 ccc(C[CH](N)CNc2sc(nn2)c3ccc4[nH]nc(C)c4 c3)cc1 |
(2S)-N~1~-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine |
| 31898 |  L9N ZINC000064746696 |
1 | C19 H20 N6 S | InChI=1S/C19H20N6S/c1-12- 2-4-13(5-3-12)8-16(20)11- 21-19-25-24-18(26-19)14-6 -7-17-15(9-14)10-22-23-17 /h2-7,9-10,16H,8,11,20H2, 1H3,(H,21,25)(H,22,23)/t1 6-/m0/s1; XFEMJTFDPFGXFN-INIZCTEOSA-N |
n1nc(sc1c3ccc2nncc2c3)NCC(N)Cc4ccc(cc4)C ; Cc1ccc(cc1)C[C@@H](CNc2nnc(s2)c3ccc4c( c3)cn[nH]4)N; Cc1ccc(C[C@H](N)CNc2sc(nn2 )c3ccc4[nH]ncc4c3)cc1; Cc1ccc(cc1)CC(CNc 2nnc(s2)c3ccc4c(c3)cn[nH]4)N; Cc1ccc(C[C H](N)CNc2sc(nn2)c3ccc4[nH]ncc4c3)cc1 |
(2S)-N~1~-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine |
| 31899 |  L9O |
1 | C14 H18 N2 O | InChI=1S/C14H18N2O/c1-10- 4-8-15-9-12(10)16-13(17)1 1-3-7-14(11)5-2-6-14/h4,8 -9,11H,2-3,5-7H2,1H3,(H,1 6,17)/t11-/m1/s1; XFQCOLJIUXXMKV-LLVKDONJSA-N |
Cc1ccncc1NC(=O)[CH]2CCC23CCC3; Cc1ccncc1 NC(=O)C2CCC23CCC3; O=C(Nc1cnccc1C)C1CCC2 1CCC2; Cc1ccncc1NC(=O)[C@H]2CCC23CCC3 |
(1S)-N-(4-methylpyridin-3-yl)spiro[3.3]heptane-1-carboxamide |
| 31900 |  L9P CHEMBL4474855 DB12026 |
1 | C40 H52 F4 N6 O9 S | InChI=1S/C40H52F4N6O9S/c1 -7-22-27-19-50(28(22)32(5 1)48-39(18-23(39)31(41)42 )35(53)49-60(55,56)38(5)1 4-15-38)34(52)30(37(2,3)4 )47-36(54)59-26-16-20(26) 10-8-9-13-40(43,44)29-33( 58-27)46-25-17-21(57-6)11 -12-24(25)45-29/h11-12,17 ,20,22-23,26-28,30-31H,7- 10,13-16,18-19H2,1-6H3,(H ,47,54)(H,48,51)(H,49,53) /t20-,22-,23+,26-,27+,28+ ,30-,39-/m1/s1; MZBLZLWXUBZHSL-FZNJKFJKSA-N |
C63C(C(C(NC1(C(C1)C(F)F)C(=O)NS(C2(CC2)C )(=O)=O)=O)N(C3)C(=O)C(NC(OC7C(CCCCC(c5c (nc4c(ccc(c4)OC)n5)O6)(F)F)C7)=O)C(C)(C) C)CC; CC[CH]1[CH]2C[N]([CH]1C(=O)N[C]3(C [CH]3C(F)F)C(=O)N[S](=O)(=O)C4(C)CC4)C(= O)[CH](NC(=O)O[CH]5C[CH]5CCCCC(F)(F)c6nc 7ccc(OC)cc7nc6O2)C(C)(C)C; CC[C@@H]1[C@@ H]2C[N@]([C@@H]1C(=O)N[C@@]3(C[C@H]3C(F) F)C(=O)N[S](=O)(=O)C4(C)CC4)C(=O)[C@@H]( NC(=O)O[C@@H]5C[C@H]5CCCCC(F)(F)c6nc7ccc (OC)cc7nc6O2)C(C)(C)C; CCC1C2CN(C1C(=O)N C3(CC3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C)C(=O )C(NC(=O)OC5CC5CCCCC(c6c(nc7cc(ccc7n6)OC )O2)(F)F)C(C)(C)C; CC[C@@H]1[C@@H]2CN([C @@H]1C(=O)N[C@@]3(C[C@H]3C(F)F)C(=O)NS(= O)(=O)C4(CC4)C)C(=O)[C@@H](NC(=O)O[C@@H] 5C[C@H]5CCCCC(c6c(nc7cc(ccc7n6)OC)O2)(F) F)C(C)(C)C |
Voxilaprevir; (1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-18,18-difluoro-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide |
| 31901 |  L9Q ZINC000058649343 |
51 | C41 H80 N O8 P | InChI=1S/C41H80NO8P/c1-3- 5-7-9-11-13-15-17-19-21-2 3-25-27-29-31-33-40(43)47 -37-39(38-49-51(45,46)48- 36-35-42)50-41(44)34-32-3 0-28-26-24-22-20-18-16-14 -12-10-8-6-4-2/h18,20,39H ,3-17,19,21-38,42H2,1-2H3 ,(H,45,46)/b20-18-/t39-/m 0/s1; JQKOHRZNEOQNJE-VYCVAHKRSA-N |
CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O )OCCN)OC(=O)CCCCCCCC=CCCCCCCCC; CCCCCCCC CCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCC N)OC(=O)CCCCCCC/C=C\CCCCCCCC; CCCCCCCCCC CCCCCCCC(=O)OC[C@@H](CO[P](O)(=O)OCCN)OC (=O)CCCCCCC\C=C/CCCCCCCC; CCCCCCCCCCCCCC CCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCC C=CCCCCCCCC; O=C(OCC(OC(=O)CCCCCCC\C=C/C CCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCCCC |
(1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate; 1-stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine |
| 31902 |  L9R |
20 | C44 H86 N O8 P | InChI=1S/C44H86NO8P/c1-6- 8-10-12-14-16-18-20-22-24 -26-28-30-32-34-36-43(46) 50-40-42(41-52-54(48,49)5 1-39-38-45(3,4)5)53-44(47 )37-35-33-31-29-27-25-23- 21-19-17-15-13-11-9-7-2/h 21,23,42H,6-20,22,24-41H2 ,1-5H3/b23-21-/t42-/m0/s1; ATHVAWFAEPLPPQ-FLHXZNPISA-N |
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])O CC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC; CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-]) (=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCC CCC; O=C(OCC(OC(=O)CCCCCCC\C=C/CCCCCCCC) COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCCCCCC CCCCC; CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO [P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC CCC/C=C\CCCCCCCC; CCCCCCCCCCCCCCCCCC(=O) OC[C@@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)O C(=O)CCCCCCC\C=C/CCCCCCCC |
(2S)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate; 1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine |
| 31903 |  L9S CHEMBL4564973 |
2 | C29 H33 F N8 O2 | InChI=1S/C29H33FN8O2/c30- 23-7-4-8-24(36-11-1-2-12- 36)26(23)35-29(40)34-21-6 -3-5-20(17-21)25-18-38(14 -13-37(25)15-16-39)28-22- 9-10-31-27(22)32-19-33-28 /h3-10,17,19,25,39H,1-2,1 1-16,18H2,(H,31,32,33)(H2 ,34,35,40)/t25-/m0/s1; ZJSNZHATZAWKIQ-VWLOTQADSA-N |
c1cc(cc(c1)NC(=O)Nc2c(cccc2F)N3CCCC3)C4C N(CCN4CCO)c5c6cc[nH]c6ncn5; c1cc(cc(c1)N C(=O)Nc2c(cccc2F)N3CCCC3)[C@@H]4CN(CCN4C CO)c5c6cc[nH]c6ncn5; OCCN1CCN(C[CH]1c2cc cc(NC(=O)Nc3c(F)cccc3N4CCCC4)c2)c5ncnc6[ nH]ccc56; C4N(C(c1cccc(c1)NC(Nc3c(cccc3N 2CCCC2)F)=O)CN(C4)c5ncnc6c5ccn6)CCO; OCC N1CCN(C[C@H]1c2cccc(NC(=O)Nc3c(F)cccc3N4 CCCC4)c2)c5ncnc6[nH]ccc56 |
N-[2-fluoro-6-(pyrrolidin-1-yl)phenyl]-N'-{3-[(2R)-1-(2-hydroxyethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]phenyl}urea |
| 31904 |  L9T CHEMBL5191512 |
1 | C16 H16 N4 O2 S | InChI=1S/C16H16N4O2S/c1-1 0-15(12-6-7-20(2)19-12)23 -16(18-10)17-8-11-4-3-5-1 3-14(11)22-9-21-13/h3-7H, 8-9H2,1-2H3,(H,17,18); VRBFSPXSSUIMQI-UHFFFAOYSA-N |
Cn1ccc(n1)c2sc(NCc3cccc4OCOc34)nc2C; Cc1 c(sc(n1)NCc2cccc3c2OCO3)c4ccn(n4)C |
N-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine |
| 31905 |  L9U ZINC000009877354 |
2 | C7 H8 Br N O S | InChI=1S/C7H8BrNOS/c8-4-7 (10)9-5-6-2-1-3-11-6/h1-3 H,4-5H2,(H,9,10); XFGFQNGEXUDOOD-UHFFFAOYSA-N |
BrCC(=O)NCc1sccc1; O=C(NCc1cccs1)CBr; c1 cc(sc1)CNC(=O)CBr |
2-bromo-N-[(thiophen-2-yl)methyl]acetamide |
| 31906 |  L9W CHEMBL6043523 |
8 | C21 H19 N5 O3 S | InChI=1S/C21H19N5O3S/c1-3 0(27,28)16-7-5-14(6-8-16) 18-12-23-21(26-13-24-25-2 0(18)26)22-11-15-3-2-4-19 -17(15)9-10-29-19/h2-8,12 -13H,9-11H2,1H3,(H,22,23); GDDMEOORUYUIJL-UHFFFAOYSA-N |
C[S](=O)(=O)c1ccc(cc1)c2cnc(NCc3cccc4OCC c34)n5cnnc25; CS(=O)(=O)c1ccc(cc1)c2cnc( n3c2nnc3)NCc4cccc5c4CCO5 |
N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine |
| 31907 |  L9X ZINC000058655632 |
2 | C16 H24 N4 O8 S | InChI=1S/C16H24N4O8S/c1-2 -20-12(22)5-10(15(20)26)2 9-7-9(14(25)18-6-13(23)24 )19-11(21)4-3-8(17)16(27) 28/h8-10H,2-7,17H2,1H3,(H ,18,25)(H,19,21)(H,23,24) (H,27,28)/t8-,9-,10+/m0/s 1; QCPAUAAIPLHRLB-LPEHRKFASA-N |
CCN1C(=O)C[C@H](C1=O)SC[C@@H](C(=O)NCC(= O)O)NC(=O)CCC(C(=O)O)N; CCN1C(=O)CC(C1=O )SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N; C CN1C(=O)C[CH](SC[CH](NC(=O)CC[CH](N)C(O) =O)C(=O)NCC(O)=O)C1=O; CCN1C(=O)C[C@@H]( SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC( O)=O)C1=O |
L-gamma-glutamyl-S-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-L-cysteinylglycine |
| 31908 |  L9Y CHEMBL3350262 ZINC000007992836 |
0 | C22 H28 Cl2 O4 | InChI=1S/C22H28Cl2O4/c1-2 -3-10-22(15-7-4-5-8-15)13 -14-12-16(28-11-6-9-17(25 )26)19(23)20(24)18(14)21( 22)27/h12,15H,2-11,13H2,1 H3,(H,25,26)/t22-/m0/s1; KHKGTPJPBOQECW-QFIPXVFZSA-N |
CCCC[C@]1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCCCC(= O)O)C3CCCC3; CCCCC1(C(c2c(C1)cc(c(c2Cl)C l)OCCCC(=O)O)=O)C3CCCC3; CCCC[C@]1(Cc2cc (OCCCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3; CC CCC1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCCCC(=O)O)C 3CCCC3; CCCC[C]1(Cc2cc(OCCCC(O)=O)c(Cl)c (Cl)c2C1=O)C3CCCC3 |
4-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}butanoic acid |
| 31909 |  L9Z |
4 | C8 H15 N O5 | InChI=1S/C8H15NO5/c9-3-8( 14)2-4(7(12)13)1-5(10)6(8 )11/h4-6,10-11,14H,1-3,9H 2,(H,12,13)/t4-,5+,6-,8-/ m0/s1; YNLZKDMNCIPLRS-GCJQMDKQSA-N |
NC[C@@]1(O)C[C@H](C[C@@H](O)[C@@H]1O)C(O )=O; C1C(CC(C(C1O)O)(CN)O)C(=O)O; C1[C@@ H](C[C@@]([C@H]([C@@H]1O)O)(CN)O)C(=O)O; NC[C]1(O)C[CH](C[CH](O)[CH]1O)C(O)=O |
(1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid |
| 31910 |  LA DB14579 |
25 | La | InChI=1S/La/q+3; CZMAIROVPAYCMU-UHFFFAOYSA-N |
[La+3] | LANTHANUM (III) ION |
| 31911 |  LA1 CHEMBL446435 DB04724 ZINC000016051670 |
1 | C33 H36 N4 O3 | InChI=1S/C33H36N4O3/c1-22 (2)16-30-33(40)36(29(32(3 9)34-3)19-23-12-13-25-8-4 -5-9-26(25)17-23)15-14-31 (38)37(30)21-24-18-27-10- 6-7-11-28(27)35-20-24/h4- 13,17-18,20,22,29-30H,14- 16,19,21H2,1-3H3,(H,34,39 )/t29-,30-/m0/s1; COVPLULNDBDXTN-KYJUHHDHSA-N |
CC(C)C[C@H]1C(=O)N(CCC(=O)N1Cc2cc3ccccc3 nc2)[C@@H](Cc4ccc5ccccc5c4)C(=O)NC; CNC( =O)[C@H](Cc1ccc2ccccc2c1)N3CCC(=O)N(Cc4c nc5ccccc5c4)[C@@H](CC(C)C)C3=O; O=C(NC)C (N1C(=O)C(N(C(=O)CC1)Cc2cc3ccccc3nc2)CC( C)C)Cc5cc4ccccc4cc5; CNC(=O)[CH](Cc1ccc2 ccccc2c1)N3CCC(=O)N(Cc4cnc5ccccc5c4)[CH] (CC(C)C)C3=O; CC(C)CC1C(=O)N(CCC(=O)N1Cc 2cc3ccccc3nc2)C(Cc4ccc5ccccc5c4)C(=O)NC |
(2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-(QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN-1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE; (S)-2-((S)-3-ISOBUTYL-2,5-DIOXO-4-QUINOLIN-3-YLMETHYL-[1,4]DIAZEPAN-1YL)-N-METHYL-3-NAPHTALEN-2-YL-PROPIONAMIDE |
| 31912 |  LA2 ZINC000058649436 |
0 | C14 H28 N2 O3 S2 | InChI=1S/C14H28N2O3S2/c15 -12(14(18)19)6-3-4-9-16-1 3(17)7-2-1-5-11(21)8-10-2 0/h11-12,20-21H,1-10,15H2 ,(H,16,17)(H,18,19)/t11-, 12+/m1/s1; AYZPHCCEYJWVJC-NEPJUHHUSA-N |
N[C@@H](CCCCNC(=O)CCCC[C@@H](S)CCS)C(O)= O; C(CCC(=O)NCCCC[C@@H](C(=O)O)N)C[C@H]( CCS)S; N[CH](CCCCNC(=O)CCCC[CH](S)CCS)C( O)=O; C(CCC(=O)NCCCCC(C(=O)O)N)CC(CCS)S; O=C(O)C(N)CCCCNC(=O)CCCCC(S)CCS |
N~6~-[(6R)-6,8-disulfanyloctanoyl]-L-lysine; lipoyllysine |
| 31913 |  LA3 CHEMBL8432 ZINC000013436317 |
5 | C27 H26 N2 O6 | InChI=1S/C27H26N2O6/c30-2 2-12-19-3-1-2-4-21(19)26( 22)28-27(32)20(14-25(31)2 9-33)11-16-5-7-17(8-6-16) 18-9-10-23-24(13-18)35-15 -34-23/h1-10,13,20,22,26, 30,33H,11-12,14-15H2,(H,2 8,32)(H,29,31)/t20-,22-,2 6+/m1/s1; MJTVUROZTDIMFT-MZEQIWSPSA-N |
c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3c cc(cc3)c4ccc5c(c4)OCO5)CC(=O)NO)O; ONC(= O)C[C@@H](Cc1ccc(cc1)c2ccc3OCOc3c2)C(=O) N[C@@H]4[C@H](O)Cc5ccccc45; ONC(=O)C[CH] (Cc1ccc(cc1)c2ccc3OCOc3c2)C(=O)N[CH]4[CH ](O)Cc5ccccc45; c1ccc2c(c1)CC(C2NC(=O)C( Cc3ccc(cc3)c4ccc5c(c4)OCO5)CC(=O)NO)O |
(2R)-2-[4-(1,3-benzodioxol-5-yl)benzyl]-N~4~-hydroxy-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide; (R)-2-(4-(benzo[d][1,3]dioxol-5-yl)benzyl)-N4-hydroxy-N1-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl) succinamide |
| 31914 |  LA4 |
0 | C24 H42 O21 | InChI=1S/C24H42O21/c25-1- 5-9(29)13(33)14(34)22(40- 5)44-19-11(31)7(3-27)42-2 4(16(19)36)45-20-12(32)8( 4-28)41-23(17(20)37)43-18 -10(30)6(2-26)39-21(38)15 (18)35/h5-38H,1-4H2/t5-,6 -,7-,8-,9-,10-,11-,12-,13 +,14-,15-,16-,17-,18+,19+ ,20+,21-,22+,23+,24+/m1/s 1; OLBQXBHLZOAVSV-SPIWUIBRSA-N |
C(C1C(C(C(C(O1)O)O)OC2C(C(C(C(O2)CO)O)OC 3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O) O)O)O)O; C([C@@H]1[C@H]([C@@H]([C@H]([C@ @H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C @H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([ C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]( [C@H](O4)CO)O)O)O)O)O)O)O; OC[C@H]1O[C@@ H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@ H]3[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]4[C@ @H](O)[C@H](O)O[C@H](CO)[C@H]4O)[C@@H]3O )[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O; OC[ CH]1O[CH](O[CH]2[CH](O)[CH](CO)O[CH](O[C H]3[CH](O)[CH](CO)O[CH](O[CH]4[CH](O)[CH ](O)O[CH](CO)[CH]4O)[CH]3O)[CH]2O)[CH](O )[CH](O)[CH]1O; C1(C(C(O)C(OC1OC2C(C(OC( C2O)CO)OC3C(C(OC(C3O)CO)OC4C(C(OC(C4O)CO )O)O)O)O)CO)O)O |
beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranose |
| 31915 |  LA5 CHEMBL591499 |
0 | C30 H52 O26 | InChI=1S/C30H52O26/c31-1- 6-11(36)16(41)17(42)27(49 -6)54-23-13(38)8(3-33)51- 29(19(23)44)56-25-15(40)1 0(5-35)52-30(21(25)46)55- 24-14(39)9(4-34)50-28(20( 24)45)53-22-12(37)7(2-32) 48-26(47)18(22)43/h6-47H, 1-5H2/t6-,7-,8-,9-,10-,11 -,12-,13-,14-,15-,16+,17- ,18-,19-,20-,21-,22+,23+, 24+,25+,26-,27+,28+,29+,3 0+/m1/s1; UUQINGLDFWYORW-RJVMBZMCSA-N |
C(C1C(C(C(C(O1)O)O)OC2C(C(C(C(O2)CO)O)OC 3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)OC5C (C(C(C(O5)CO)O)O)O)O)O)O)O)O; C1(C(C(C(C (O1)CO)O)O)O)OC5C(C(OC(OC2C(C(OC(C2O)OC4 C(C(OC(OC3C(C(OC(O)C3O)CO)O)C4O)CO)O)CO) O)C5O)CO)O; OC[CH]1O[CH](O[CH]2[CH](O)[C H](CO)O[CH](O[CH]3[CH](O)[CH](CO)O[CH](O [CH]4[CH](O)[CH](CO)O[CH](O[CH]5[CH](O)[ CH](O)O[CH](CO)[CH]5O)[CH]4O)[CH]3O)[CH] 2O)[CH](O)[CH](O)[CH]1O; C([C@@H]1[C@H]( [C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H] ([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H ]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@ H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@ @H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O )O)O; OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@ @H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](CO) O[C@@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@@H] (O[C@@H]5[C@@H](O)[C@H](O)O[C@H](CO)[C@H ]5O)[C@@H]4O)[C@@H]3O)[C@@H]2O)[C@H](O)[ C@@H](O)[C@@H]1O |
beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranose |
| 31916 |  LA6 ZINC000013539357 |
6 | C10 H19 F O7 P2 | InChI=1S/C10H19FO7P2/c1-8 (2)5-4-6-9(3)10(11)7-17-2 0(15,16)18-19(12,13)14/h5 H,4,6-7H2,1-3H3,(H,15,16) (H2,12,13,14)/b10-9+; BYJNSLXDWGDGAC-MDZDMXLPSA-N |
CC(C)=CCCC(C)=C(F)CO[P](O)(=O)O[P](O)(O) =O; CC(C)=CCCC(/C)=C(F)\CO[P](O)(=O)O[P] (O)(O)=O; CC(=CCC/C(=C(\CO[P@@](=O)(O)OP (=O)(O)O)/F)/C)C; CC(=CCCC(=C(COP(=O)(O) OP(=O)(O)O)F)C)C; O=P(O)(O)OP(=O)(OCC(/F )=C(/C)CC\C=C(/C)C)O |
(2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate |
| 31917 |  LA7 CHEMBL1579537 ZINC000000152878 |
1 | C7 H9 N O2 | InChI=1S/C7H9NO2/c1-5-2-3 -7(10)6(4-9)8-5/h2-3,9-10 H,4H2,1H3; PAGTXDLKXRBHFL-UHFFFAOYSA-N |
Cc1ccc(c(n1)CO)O; Oc1ccc(nc1CO)C; Cc1ccc (O)c(CO)n1 |
2-(hydroxymethyl)-6-methylpyridin-3-ol |
| 31918 |  LA8 ZINC000031977053 |
3 | C10 H15 N5 O10 P2 | InChI=1S/C10H15N5O10P2/c1 1-8-5-9(13-2-12-8)15(3-14 -5)10-7(17)6(16)4(24-10)1 -23-27(21,22)25-26(18,19) 20/h2-4,6-7,10,16-17H,1H2 ,(H,21,22)(H2,11,12,13)(H 2,18,19,20)/t4-,6-,7-,10- /m0/s1; XTWYTFMLZFPYCI-DEGSGYPDSA-N |
c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@ @H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N; Nc 1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P ](O)(O)=O)[CH](O)[CH]3O; O=P(O)(O)OP(=O) (O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O; Nc1n cnc2n(cnc12)[C@H]3O[C@@H](CO[P](O)(=O)O[ P](O)(O)=O)[C@H](O)[C@@H]3O; c1nc(c2c(n1 )n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O )O)N |
L-ADENOSINE-5'-DIPHOSPHATE; L-ADP |
| 31919 |  LA9 CHEMBL4528407 ZINC000263620905 |
2 | C21 H33 N2 O6 P | InChI=1S/C21H33N2O6P/c1-1 4(2)12-19(22-15(3)24)20(2 5)23-16(4)30(28,29)13-18( 21(26)27)11-10-17-8-6-5-7 -9-17/h5-9,14,16,18-19H,1 0-13H2,1-4H3,(H,22,24)(H, 23,25)(H,26,27)(H,28,29)/ t16-,18-,19+/m1/s1; PRXYUEILDUCTTM-QRQLOZEOSA-N |
CC(C)CC(C(=O)NC(C)P(=O)(CC(CCc1ccccc1)C( =O)O)O)NC(=O)C; O=C(NC(C(=O)NC(C)P(=O)(O )CC(C(=O)O)CCc1ccccc1)CC(C)C)C; C[C@H](N C(=O)[C@H](CC(C)C)NC(=O)C)P(=O)(C[C@@H]( CCc1ccccc1)C(=O)O)O; CC(C)C[CH](NC(C)=O) C(=O)N[CH](C)[P](O)(=O)C[CH](CCc1ccccc1) C(O)=O; CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H] (C)[P](O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |
(2S)-2-{[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid; Acetyl-Leu-Ala-y(PO2CH2)-homoPhe-OH |
| 31920 |  LAA |
0 | C4 H8 N2 O4 | InChI=1S/C4H8N2O4/c5-1(3( 6)8)2(7)4(9)10/h1-2,7H,5H 2,(H2,6,8)(H,9,10)/t1-,2+ /m0/s1; XTAAXERUXNEDCQ-NHYDCYSISA-N |
[C@H]([C@H](C(=O)O)O)(C(=O)N)N; N[CH]([C H](O)C(O)=O)C(N)=O; O=C(N)C(N)C(O)C(=O)O ; C(C(C(=O)O)O)(C(=O)N)N; N[C@@H]([C@@H] (O)C(O)=O)C(N)=O |
(3R)-3-hydroxy-L-alpha-asparagine |
| 31921 |  LAB CHEMBL411879 DB08080 ZINC000005751767 |
46 | C20 H29 N O5 S | InChI=1S/C20H29NO5S/c1-13 -5-3-4-6-14(2)9-18(22)25- 16-10-15(8-7-13)26-20(24, 11-16)17-12-27-19(23)21-1 7/h3,5,9,13,15-17,24H,4,6 -8,10-12H2,1-2H3,(H,21,23 )/b5-3-,14-9-/t13-,15-,16 -,17+,20-/m1/s1; NSHPHXHGRHSMIK-JRIKCGFMSA-N |
O=C3OC2CC(OC(O)(C1NC(=O)SC1)C2)CCC(C=CCC C(=C3)C)C; C[C@H]\1CC[C@@H]2C[C@H](C[C@@ ](O)(O2)[C@@H]3CSC(=O)N3)OC(=O)\C=C(C)/C C\C=C\1; C[C@H]\1CC[C@@H]2C[C@H](C[C@@]( O2)([C@@H]3CSC(=O)N3)O)OC(=O)\C=C(/CC\C= C1)\C; CC1CCC2CC(CC(O2)(C3CSC(=O)N3)O)OC (=O)C=C(CCC=C1)C; C[CH]1CC[CH]2C[CH](C[C ](O)(O2)[CH]3CSC(=O)N3)OC(=O)C=C(C)CCC=C 1 |
LATRUNCULIN B |
| 31922 |  LAC CHEMBL358850 DB03066 ZINC000004658562 |
9 | C3 H6 O3 | InChI=1S/C3H6O3/c1-2(4)3( 5)6/h2,4H,1H3,(H,5,6)/t2- /m1/s1; JVTAAEKCZFNVCJ-UWTATZPHSA-N |
O=C(O)C(O)C; C[CH](O)C(O)=O; C[C@H](C(=O )O)O; C[C@@H](O)C(O)=O; CC(C(=O)O)O |
LACTIC ACID |
| 31923 |  LAD ZINC000013549831 |
3 | C16 H26 N7 O8 P | InChI=1S/C16H26N7O8P/c17- 4-2-1-3-8(18)16(26)31-32( 27,28)29-5-9-11(24)12(25) 15(30-9)23-7-22-10-13(19) 20-6-21-14(10)23/h6-9,11- 12,15,24-25H,1-5,17-18H2, (H,27,28)(H2,19,20,21)/t8 -,9+,11+,12+,15+/m0/s1; RZWIOOBQBMRZTQ-OPYVMVOTSA-N |
O=C(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O )C3O)C(N)CCCCN; c1nc(c2c(n1)n(cn2)C3C(C( C(O3)COP(=O)(O)OC(=O)C(CCCCN)N)O)O)N; NC CCC[C@H](N)C(=O)O[P@@](O)(=O)OC[C@H]1O[C @H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23; N CCCC[CH](N)C(=O)O[P](O)(=O)OC[CH]1O[CH]( [CH](O)[CH]1O)n2cnc3c(N)ncnc23; c1nc(c2c (n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C O[P@@](=O)(O)OC(=O)[C@H](CCCCN)N)O)O)N |
ADENOSINE-5'-[LYSYL-PHOSPHATE] |
| 31924 |  LAE CHEMBL463321 DB08081 ZINC000004102231 |
14 | C12 H19 N O4 | InChI=1S/C12H19NO4/c1-2-3 -4-5-9(14)8-11(15)13-10-6 -7-17-12(10)16/h10H,2-8H2 ,1H3,(H,13,15)/t10-/m0/s1; FXCMGCFNLNFLSH-JTQLQIEISA-N |
O=C1OCCC1NC(=O)CC(=O)CCCCC; CCCCCC(=O)CC (=O)NC1CCOC1=O; CCCCCC(=O)CC(=O)N[CH]1CC OC1=O; CCCCCC(=O)CC(=O)N[C@H]1CCOC1=O |
3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE; N-(3-OXO-OCTANAL-1-YL)-HOMOSERINE LACTONE |
| 31925 |  LAF DB02828 |
4 | C5 H7 F O3 | InChI=1S/C5H7FO3/c6-3-4(7 )1-2-5(8)9/h1-3H2,(H,8,9); MBVLGMJBSFUHKW-UHFFFAOYSA-N |
C(CC(=O)O)C(=O)CF; FCC(=O)CCC(=O)O; OC(= O)CCC(=O)CF |
5-FLUOROLEVULINIC ACID |
| 31926 |  LAG CHEMBL1233953 DB01922 ZINC000064460049 |
1 | C18 H32 N2 O15 | InChI=1S/C18H32N2O15/c21- 1-4-14(9(26)11(28)16(19-4 )20-31)34-18-13(30)10(27) 15(6(3-23)33-18)35-17-12( 29)8(25)7(24)5(2-22)32-17 /h4-15,17-18,21-31H,1-3H2 ,(H,19,20)/t4-,5-,6-,7-,8 +,9-,10-,11-,12-,13-,14-, 15-,17-,18-/m1/s1; AHRWQUNEPBVNOT-IVJVVCOPSA-N |
C([C@@H]1[C@H]([C@@H]([C@H](/C(=N/O)/N1) O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2 )CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3 )CO)O)O)O)O)O)O; O(C1C(O)C(O)C(=N\O)\NC1 CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)C O; C(C1C(C(C(C(=NO)N1)O)O)OC2C(C(C(C(O2) CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O; OC[C@H] 1NC(=N\O)/[C@H](O)[C@@H](O)[C@@H]1O[C@H] 2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H ](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O; OC[ CH]1NC(=NO)[CH](O)[CH](O)[CH]1O[CH]2O[CH ](CO)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[ CH]3O)[CH](O)[CH]2O |
MALTOSYL-ALPHA (1,4)-(Z,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-PIPERIDIN-2-ONE OXIME; MALTOSYL-ALPHA (1,4)-D-GLUCONHYDROXIMO-1,5-LACTAM |
| 31927 |  LAH ZINC000263620919 |
1 | C8 H17 O8 P | InChI=1S/C8H17O8P/c1-4(2) 15-17(12,13)16-7-6(10)5(9 )3-14-8(7)11/h4-11H,3H2,1 -2H3,(H,12,13)/t5-,6-,7+, 8+/m0/s1; PYOXTDKMFCLRNS-RULNZFCNSA-N |
CC(C)O[P](O)(=O)O[CH]1[CH](O)OC[CH](O)[C H]1O; CC(C)OP(=O)(O)O[C@@H]1[C@H]([C@H]( CO[C@H]1O)O)O; O=P(OC1C(O)C(O)COC1O)(OC( C)C)O; CC(C)OP(=O)(O)OC1C(C(COC1O)O)O; C C(C)O[P](O)(=O)O[C@H]1[C@H](O)OC[C@H](O) [C@@H]1O |
2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-alpha-L-arabinopyranose; 2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-alpha-L-arabinose; 2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-L-arabinose; 2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-arabinose |
| 31928 |  LAI DB16873 ZINC000002508230 |
2 | C5 H10 O5 | InChI=1S/C5H10O5/c6-1-3(8 )5(10)4(9)2-7/h1,3-5,7-10 H,2H2/t3-,4-,5+/m0/s1; PYMYPHUHKUWMLA-VAYJURFESA-N |
C([C@@H]([C@@H]([C@H](C=O)O)O)O)O; OCC(C (C(C=O)O)O)O; OC[CH](O)[CH](O)[CH](O)C=O ; C(C(C(C(C=O)O)O)O)O; OC[C@H](O)[C@H](O )[C@@H](O)C=O |
L-arabinose |
| 31929 |  LAJ CHEMBL4598367 |
2 | C18 H18 N6 O3 S | InChI=1S/C18H18N6O3S/c1-1 9-18(25)17-13(21-12-7-3-4 -8-14(12)28(2,26)27)11-16 (23-24-17)22-15-9-5-6-10- 20-15/h3-11H,1-2H3,(H,19, 25)(H2,20,21,22,23); KUHISBZXQSKCLH-UHFFFAOYSA-N |
CNC(=O)c1c(cc(nn1)Nc2ccccn2)Nc3ccccc3S(= O)(=O)C; c3(Nc1nnc(c(c1)Nc2c(cccc2)S(C)( =O)=O)C(NC)=O)ccccn3; CNC(=O)c1nnc(Nc2cc ccn2)cc1Nc3ccccc3[S](C)(=O)=O |
N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide |
| 31930 |  LAK |
0 | C12 H22 O11 | InChI=1S/C12H22O11/c13-1- 3-5(14)8(17)10(19)12(23-3 )21-2-4-6(15)7(16)9(18)11 (20)22-4/h3-20H,1-2H2/t3- ,4-,5+,6-,7+,8+,9-,10-,11 -,12-/m1/s1; DLRVVLDZNNYCBX-VHBGUFLRSA-N |
OC[CH]1O[CH](OC[CH]2O[CH](O)[CH](O)[CH]( O)[CH]2O)[CH](O)[CH](O)[CH]1O; C([C@@H]1 [C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[ C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O)O)O) O)O; C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O )O)O)O)O)O; O(CC1OC(O)C(O)C(O)C1O)C2OC(C (O)C(O)C2O)CO; OC[C@H]1O[C@@H](OC[C@H]2O [C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H] (O)[C@@H](O)[C@H]1O |
BETA-D-GALACTOPYRANOSYL-1-6-BETA-D-GLUCOPYRANOSE; ALLOLACTOSE |
| 31931 |  LAL DB02167 ZINC000004829414 |
0 | C5 H11 N O2 | InChI=1S/C5H11NO2/c1-4(5( 7)8)6(2)3/h4H,1-3H3,(H,7, 8)/t4-/m0/s1; QCYOIFVBYZNUNW-BYPYZUCNSA-N |
C[C@@H](C(=O)O)N(C)C; C[C@H](N(C)C)C(O)= O; C[CH](N(C)C)C(O)=O; CC(C(=O)O)N(C)C; O=C(O)C(N(C)C)C |
N,N-DIMETHYL-L-ALANINE |
| 31932 |  LAM |
4 | C24 H35 N O17 S | InChI=1S/C24H35NO17S/c26- 5-10-13(29)16(32)17(33)24 (41-10)43-21-15(31)12(7-2 8)40-23(19(21)35)42-20-14 (30)11(6-27)39-22(18(20)3 4)38-9-3-1-8(2-4-9)25(36) 37/h1-4,10-24,26-35H,5-7H 2/t10-,11?,12-,13-,14?,15 -,16+,17-,18?,19-,20?,21+ ,22?,23+,24+/m1/s1; VWNONHZCCMYIGR-VGNFVTAUSA-N |
c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O )OC3C(C(C(C(O3)CO)O)SC4C(C(C(C(O4)CO)O)O )O)O)O; OCC1OC(Oc2ccc(cc2)[N+]([O-])=O)C (O)C(O[CH]3O[CH](CO)[CH](O)[CH](S[CH]4O[ CH](CO)[CH](O)[CH](O)[CH]4O)[CH]3O)C1O; c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O )O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO) O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO )O)O)O)O)O; OCC1OC(Oc2ccc(cc2)[N+]([O-]) =O)C(O)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H ](S[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@ H]4O)[C@H]3O)C1O; [O-][N+](=O)c4ccc(OC3O C(CO)C(O)C(OC2OC(CO)C(O)C(SC1OC(C(O)C(O) C1O)CO)C2O)C3O)cc4 |
4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE; 4'-NITROPHENYL-3I-THIOLAMINARITRIOSIDE |
| 31933 |  LAN CHEMBL225111 DB03696 ZINC000003870056 |
8 | C30 H50 O | InChI=1S/C30H50O/c1-20(2) 10-9-11-21(3)22-14-18-30( 8)24-12-13-25-27(4,5)26(3 1)16-17-28(25,6)23(24)15- 19-29(22,30)7/h10,21-22,2 5-26,31H,9,11-19H2,1-8H3/ t21-,22-,25+,26+,28-,29-, 30+/m1/s1; CAHGCLMLTWQZNJ-BQNIITSRSA-N |
CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC (C4(C)C)O)C)C)C; C[C@H](CCC=C(C)C)[C@H]1 CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@ H](O)C(C)(C)[C@@H]4CC3; C[C@H](CCC=C(C)C )[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[ C@@]3(CC[C@@H](C4(C)C)O)C)C)C; C[CH](CCC =C(C)C)[CH]1CC[C]2(C)C3=C(CC[C]12C)[C]4( C)CC[CH](O)C(C)(C)[CH]4CC3; OC4C(C3CCC1= C(CCC2(C(C(C)CC\C=C(/C)C)CCC12C)C)C3(C)C C4)(C)C |
LANOSTEROL |
| 31934 |  LAO ZINC000263620940 |
7 | C5 H11 O8 P | InChI=1S/C5H11O8P/c6-2-1- 12-5(8)4(3(2)7)13-14(9,10 )11/h2-8H,1H2,(H2,9,10,11 )/t2-,3-,4+,5+/m0/s1; QIAIUTJEZJIPSH-QMKXCQHVSA-N |
O[C@H]1CO[C@@H](O)[C@H](O[P](O)(O)=O)[C@ H]1O; C1C(C(C(C(O1)O)OP(=O)(O)O)O)O; O=P (OC1C(O)C(O)COC1O)(O)O; C1[C@@H]([C@@H]( [C@H]([C@@H](O1)O)OP(=O)(O)O)O)O; O[CH]1 CO[CH](O)[CH](O[P](O)(O)=O)[CH]1O |
2-O-phosphono-alpha-L-arabinopyranose; 2-O-phosphono-alpha-L-arabinose; 2-O-phosphono-L-arabinose; 2-O-phosphono-arabinose |
| 31935 |  LAP |
8 | C20 H43 N O7 P | InChI=1S/C20H42NO7P/c1-5- 6-7-8-9-10-11-12-13-14-20 (23)26-17-19(22)18-28-29( 24,25)27-16-15-21(2,3)4/h 19,22H,5-18H2,1-4H3/p+1; BWKILASWCLJPBO-UHFFFAOYSA-O |
CCCCCCCCCCCC(=O)OCC(O)CO[P](O)(=O)OCC[N+ ](C)(C)C; CCCCCCCCCCCC(=O)OC[C@H](CO[P@@ ](=O)(O)OCC[N+](C)(C)C)O; CCCCCCCCCCCC(= O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O; O=C(OC C(O)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCC |
[2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM; L-ALFA-LYSOPHOSPHATIDYLCHOLINE, LAUROYL |
| 31936 |  LAQ ZINC000016051950 |
7 | C18 H26 N5 O8 P S2 | InChI=1S/C18H26N5O8PS2/c1 9-16-13-17(21-8-20-16)23( 9-22-13)18-15(26)14(25)11 (30-18)7-29-32(27,28)31-1 2(24)4-2-1-3-10-5-6-33-34 -10/h8-11,14-15,18,25-26H ,1-7H2,(H,27,28)(H2,19,20 ,21)/t10-,11-,14-,15-,18- /m1/s1; QWEGOCJRZOKSOE-ADUAKINBSA-N |
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O C(=O)CCCCC4CCSS4)O)O)N; c1nc(c2c(n1)n(cn 2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](= O)(O)OC(=O)CCCC[C@@H]4CCSS4)O)O)N; Nc1nc nc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)OC (=O)CCCC[C@@H]4CCSS4)[C@@H](O)[C@H]3O; O =P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OC (=O)CCCCC4SSCC4; Nc1ncnc2n(cnc12)[CH]3O[ CH](CO[P](O)(=O)OC(=O)CCCC[CH]4CCSS4)[CH ](O)[CH]3O |
5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE; LIPOYL-AMP |
| 31937 |  LAR CHEMBL404116 DB02621 ZINC000005766575 |
24 | C22 H31 N O5 S | InChI=1S/C22H31NO5S/c1-15 -7-5-3-4-6-8-16(2)11-20(2 4)27-18-12-17(10-9-15)28- 22(26,13-18)19-14-29-21(2 5)23-19/h3-5,7,11,15,17-1 9,26H,6,8-10,12-14H2,1-2H 3,(H,23,25)/b4-3+,7-5-,16 -11-/t15-,17-,18-,19+,22- /m1/s1; DDVBPZROPPMBLW-IZGXTMSKSA-N |
C[C@H]/1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H ]3CSC(=O)N3)O)OC(=O)/C=C(\CC/C=C/C=C1)/C ; C[C@H]\1CC[C@@H]2C[C@H](C[C@@](O)(O2)[ C@@H]3CSC(=O)N3)OC(=O)\C=C(C)/CC\C=C\C=C \1; O=C3OC2CC(OC(O)(C1NC(=O)SC1)C2)CCC(C =CC=CCCC(=C3)C)C; CC1CCC2CC(CC(O2)(C3CSC (=O)N3)O)OC(=O)C=C(CCC=CC=C1)C; C[CH]1CC [CH]2C[CH](C[C](O)(O2)[CH]3CSC(=O)N3)OC( =O)C=C(C)CCC=CC=C1 |
LATRUNCULIN A; 4-(17-HYDROXY-5,12-DIMETHYL-3-OXO-2,16-DIOXABICYCLO[13.3.1]NONADECA-4,8,10-TRIEN-17-YL)-2-THIAZOLIDINONE |
| 31938 |  LAS CHEMBL374308 |
2 | C15 H24 N2 O7 S | InChI=1S/C15H24N2O7S/c1-6 (2)10(19)15(11(20)7(3)12( 21)17-15)14(24)25-5-9(13( 22)23)16-8(4)18/h6-7,9-11 ,19-20H,5H2,1-4H3,(H,16,1 8)(H,17,21)(H,22,23)/t7-, 9?,10+,11+,15-/m1/s1; DAQAKHDKYAWHCG-MJZHQVMOSA-N |
O=C1NC(C(=O)SCC(C(=O)O)NC(=O)C)(C(O)C1C) C(O)C(C)C; CC1C(C(NC1=O)(C(C(C)C)O)C(=O) SCC(C(=O)O)NC(=O)C)O; C[C@@H]1[C@@H]([C@ ](NC1=O)([C@H](C(C)C)O)C(=O)SCC(C(=O)O)N C(=O)C)O; CC(C)[CH](O)[C]1(NC(=O)[CH](C) [CH]1O)C(=O)SCC(NC(C)=O)C(O)=O; CC(C)[C@ H](O)[C@]1(NC(=O)[C@H](C)[C@@H]1O)C(=O)S CC(NC(C)=O)C(O)=O |
N-acetyl-S-({(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine; LACTACYSTIN |
| 31939 |  LAT |
0 | C12 H22 O11 | InChI=1S/C12H22O11/c13-1- 3-5(15)6(16)9(19)12(22-3) 23-10-4(2-14)21-11(20)8(1 8)7(10)17/h3-20H,1-2H2/t3 -,4-,5+,6+,7-,8-,9-,10-,1 1-,12+/m1/s1; GUBGYTABKSRVRQ-DCSYEGIMSA-N |
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O) [C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H ]1O; O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O) C2O)CO; C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O )CO)O)O)O)O; C([C@@H]1[C@@H]([C@@H]([C@H ]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]( [C@H]2O)O)O)CO)O)O)O)O; OC[CH]1O[CH](O[C H]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](O) [CH](O)[CH]1O |
BETA-LACTOSE |
| 31940 |  LAU CHEMBL108766 DB03017 |
0 | C12 H24 O2 | InChI=1/C12H24O2/c1-2-3-4 -5-6-7-8-9-10-11-12(13)14 /h2-11H2,1H3,(H,13,14)/f/ h13H; POULHZVOKOAJMA-NDKGDYFDCC |
CCCCCCCCCCCC(=O)O; O=C(O)CCCCCCCCCCC; CC CCCCCCCCCC(O)=O |
DODECANOIC ACID |
| 31941 |  LAV ZINC000098209103 |
0 | C11 H24 N2 O2 | InChI=1S/C11H24N2O2/c1-7( 2)5-9(12)6-13-10(8(3)4)11 (14)15/h7-10,13H,5-6,12H2 ,1-4H3,(H,14,15)/t9-,10-/ m0/s1; NPTLVLDJKIEXJU-UWVGGRQHSA-N |
CC(C)C[C@@H](CN[C@@H](C(C)C)C(=O)O)N; CC (C)CC(CNC(C(C)C)C(=O)O)N; O=C(O)C(NCC(N) CC(C)C)C(C)C; CC(C)C[C@H](N)CN[C@@H](C(C )C)C(O)=O; CC(C)C[CH](N)CN[CH](C(C)C)C(O )=O |
N-[(2S)-2-amino-4-methylpentyl]-L-valine |
| 31942 |  LAW CHEMBL5400367 |
1 | C25 H32 N12 O9 S | InChI=1S/C25H32N12O9S/c26 -3-5-47(42,43)34-6-11-16( 38)19(41)25(45-11)37-13(3 5-15-21(28)30-9-32-23(15) 37)2-1-4-44-7-12-17(39)18 (40)24(46-12)36-10-33-14- 20(27)29-8-31-22(14)36/h8 -12,16-19,24-25,34,38-41H ,3-7,26H2,(H2,27,29,31)(H 2,28,30,32)/t11-,12-,16-, 17-,18-,19-,24-,25-/m1/s1; BIOOSWGGEOOSLM-AKONZDDMSA-N |
NCC[S](=O)(=O)NC[CH]1O[CH]([CH](O)[CH]1O )n2c(nc3c(N)ncnc23)C#CCOC[CH]4O[CH]([CH] (O)[CH]4O)n5cnc6c(N)ncnc56; c1nc(c2c(n1) n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COCC# Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H] (O6)CNS(=O)(=O)CCN)O)O)N)O)O)N; c1nc(c2c (n1)n(cn2)C3C(C(C(O3)COCC#Cc4nc5c(ncnc5n 4C6C(C(C(O6)CNS(=O)(=O)CCN)O)O)N)O)O)N; NCC[S](=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@ @H]1O)n2c(nc3c(N)ncnc23)C#CCOC[C@H]4O[C@ H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56 |
~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-2-azanyl-ethanesulfonamide |
| 31943 |  LAX CHEMBL465183 DB00154 ZINC000004521470 |
1 | C20 H34 O2 | InChI=1S/C20H34O2/c1-2-3- 4-5-6-7-8-9-10-11-12-13-1 4-15-16-17-18-19-20(21)22 /h6-7,9-10,12-13H,2-5,8,1 1,14-19H2,1H3,(H,21,22)/b 7-6-,10-9-,13-12-; HOBAELRKJCKHQD-QNEBEIHSSA-N |
CCCCC\C=C/C/C=C\C\C=C/CCCCCCC(O)=O; CCCC CC=CCC=CCC=CCCCCCCC(O)=O; CCCCCC=CCC=CCC =CCCCCCCC(=O)O; CCCCC\C=C/C\C=C/C\C=C/CC CCCCC(=O)O; O=C(O)CCCCCC\C=C/C\C=C/C\C=C /CCCCC |
EICOSA-8,11,14-TRIENOIC ACID; DIHOMO-GAMMA-LINOLENIC ACID |
| 31944 |  LAY CHEMBL56021 DB16956 ZINC000000135384 |
0 | C8 H15 N O3 | InChI=1S/C8H15NO3/c1-5(2) 4-7(8(11)12)9-6(3)10/h5,7 H,4H2,1-3H3,(H,9,10)(H,11 ,12)/t7-/m0/s1; WXNXCEHXYPACJF-ZETCQYMHSA-N |
O=C(NC(C(=O)O)CC(C)C)C; CC(C)C[C@H](NC(C )=O)C(O)=O; CC(C)C[C@@H](C(=O)O)NC(=O)C; CC(C)C[CH](NC(C)=O)C(O)=O; CC(C)CC(C(=O )O)NC(=O)C |
N-acetyl-L-leucine |
| 31945 |  LAZ CHEMBL1233960 DB08082 ZINC000001665476 |
8 | C9 H10 Cl N O2 | InChI=1S/C9H10ClNO2/c10-8 -3-1-7(2-4-8)9(13)11-5-6- 12/h1-4,12H,5-6H2,(H,11,1 3); GBARCMIFTACERW-UHFFFAOYSA-N |
c1cc(ccc1C(=O)NCCO)Cl; O=C(c1ccc(Cl)cc1) NCCO; OCCNC(=O)c1ccc(Cl)cc1 |
N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE; 4-CHLORO-N-(2-HYDROXYETHYL)BENZAMIDE |
| 31946 |  LB0 |
1 | C14 H18 N2 O | InChI=1S/C14H18N2O/c1-9-4 -5-15-8-13(9)16-14(17)12- 6-11(7-12)10-2-3-10/h4-5, 8,10-12H,2-3,6-7H2,1H3,(H ,16,17)/t11-,12-; SPZNGMCOZXKTMM-HAQNSBGRSA-N |
Cc1ccncc1NC(=O)C2CC(C2)C3CC3; Cc1ccncc1N C(=O)[C@H]2C[C@@H](C2)C3CC3; Cc1ccncc1NC (=O)[CH]2C[CH](C2)C3CC3; O=C(Nc1cnccc1C) C1CC(C1)C1CC1 |
(1r,3r)-3-cyclopropyl-N-(4-methylpyridin-3-yl)cyclobutane-1-carboxamide |
| 31947 |  LB1 CHEMBL5415208 |
1 | C13 H20 N2 O4 | InChI=1S/C13H20N2O4/c1-14 -4-6-15(7-5-14)12(16)10-8 -2-3-9(19-8)11(10)13(17)1 8/h8-11H,2-7H2,1H3,(H,17, 18)/t8-,9+,10-,11+/m1/s1; JUQMLSGOTNKJKI-YTWAJWBKSA-N |
CN1CCN(CC1)C(=O)C2C3CCC(C2C(=O)O)O3; CN1 CCN(CC1)C(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H ]2C(=O)O)O3; CN1CCN(CC1)C(=O)[CH]2[CH]3C C[CH](O3)[CH]2C(O)=O; C2(C(C(N1CCN(CC1)C )=O)C3CCC2O3)C(O)=O; CN1CCN(CC1)C(=O)[C@ @H]2[C@H]3CC[C@H](O3)[C@@H]2C(O)=O |
(1S,2R,3S,4R)-3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid |
| 31948 |  LB2 |
0 | C12 H22 O11 | InChI=1S/C12H22O11/c13-1- 3-5(15)7(17)8(18)12(22-3) 23-10-6(16)4(2-14)21-11(2 0)9(10)19/h3-20H,1-2H2/t3 -,4-,5-,6-,7+,8-,9-,10+,1 1-,12+/m1/s1; QIGJYVCQYDKYDW-CSOAUFAESA-N |
OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)O[CH](C O)[CH]2O)[CH](O)[CH](O)[CH]1O; C(C1C(C(C (C(O1)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O; O( C1C(O)C(O)OC(CO)C1O)C2OC(C(O)C(O)C2O)CO; C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O )O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O) O)O)O)O; OC[C@H]1O[C@@H](O[C@@H]2[C@@H]( O)[C@H](O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@ H](O)[C@@H]1O |
3-O-beta-D-glucopyranosyl-beta-D-glucopyranose; Laminaribiose |
| 31949 |  LB3 CHEMBL5178474 |
1 | C18 H18 F2 N6 O3 | InChI=1S/C18H18F2N6O3/c19 -9-2-1-7(5-10(9)20)8-3-4- 22-18-25-11-15(21)23-6-24 -16(11)26(18)17-13(28)12( 27)14(8)29-17/h1-2,5-6,8, 12-14,17,27-28H,3-4H2,(H, 22,25)(H2,21,23,24)/t8-,1 2+,13-,14-,17-/m1/s1; JZKFSFVCJQMNFZ-TXXSDKCWSA-N |
c1cc(c(cc1C2CCNc3nc4c(ncnc4n3C5C(C(C2O5) O)O)N)F)F; Fc1ccc(cc1F)C1CCNc2nc3c(N)ncn c3n2C2OC1C(O)C2O; c1cc(c(cc1[C@H]2CCNc3n c4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@@H]2O5 )O)O)N)F)F; Nc1ncnc2n3[CH]4O[CH]([CH](O) [CH]4O)[CH](CCNc3nc12)c5ccc(F)c(F)c5; Nc 1ncnc2n3[C@@H]4O[C@@H]([C@@H](O)[C@H]4O) [C@H](CCNc3nc12)c5ccc(F)c(F)c5 |
(9R,10R,11S,12R,13R,14R)-4-amino-9-(3,4-difluorophenyl)-6,7,8,9,10,11,12,13-octahydro-10,13-epoxy[1,3]diazecino[1,2-e]purine-11,12-diol |
| 31950 |  LB4 CHEMBL4474729 |
2 | C27 H26 F N7 O3 | InChI=1S/C27H26FN7O3/c1-1 6-11-23(32-15-20(16)28)35 -24-12-22(19(14-31-24)26( 36)29-2)34-21-9-6-8-18(25 (21)38-3)27(37)33-13-17-7 -4-5-10-30-17/h4-12,14-15 H,13H2,1-3H3,(H,29,36)(H, 33,37)(H2,31,32,34,35); OXIRLLVPYPWPEK-UHFFFAOYSA-N |
CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc3cccc( C(=O)NCc4ccccn4)c3OC; Cc1cc(ncc1F)Nc2cc( c(cn2)C(=O)NC)Nc3cccc(c3OC)C(=O)NCc4cccc n4; c4c(Nc1ncc(C(NC)=O)c(c1)Nc2cccc(c2OC )C(NCc3ccccn3)=O)ncc(c4C)F |
6-[(5-fluoro-4-methylpyridin-2-yl)amino]-4-[(2-methoxy-3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)amino]-N-methylpyridine-3-carboxamide |
| 31951 |  LB5 CHEMBL4574467 |
1 | C26 H32 N6 O3 S | InChI=1S/C26H32N6O3S/c1-1 7-7-5-6-10-21(17)32-16-19 (13-30-32)25(34)29-15-23- 28-14-22(36-23)26(35)31-2 0(24(27)33)12-11-18-8-3-2 -4-9-18/h5-7,10,13-14,16, 18,20H,2-4,8-9,11-12,15H2 ,1H3,(H2,27,33)(H,29,34)( H,31,35)/t20-/m0/s1; MYJMLFRMWQAWML-FQEVSTJZSA-N |
Cc1ccccc1n2cc(cn2)C(=O)NCc3ncc(s3)C(=O)N C(CCC4CCCCC4)C(=O)N; Cc1ccccc1n2cc(cn2)C (=O)NCc3sc(cn3)C(=O)N[CH](CCC4CCCCC4)C(N )=O; Cc1ccccc1n2cc(cn2)C(=O)NCc3ncc(s3)C (=O)N[C@@H](CCC4CCCCC4)C(=O)N; Cc1ccccc1 n2cc(cn2)C(=O)NCc3sc(cn3)C(=O)N[C@@H](CC C4CCCCC4)C(N)=O |
~{N}-[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]-2-[[[1-(2-methylphenyl)pyrazol-4-yl]carbonylamino]methyl]-1,3-thiazole-5-carboxamide |
| 31952 |  LB6 ZINC000020722384 |
10 | C12 H11 Br N2 O3 | InChI=1S/C12H11BrN2O3/c13 -9-2-1-8-3-4-15(10(8)5-9) 7-11(16)14-6-12(17)18/h1- 5H,6-7H2,(H,14,16)(H,17,1 8); CWLHYPMSORHOPU-UHFFFAOYSA-N |
O=C(O)CNC(=O)Cn1ccc2ccc(Br)cc21; c1cc(cc 2c1ccn2CC(=O)NCC(=O)O)Br; OC(=O)CNC(=O)C n1ccc2ccc(Br)cc12 |
N-[(6-bromo-1H-indol-1-yl)acetyl]glycine |
| 31953 |  LB7 CHEMBL4596392 |
2 | C20 H22 N8 O3 | InChI=1S/C20H22N8O3/c1-21 -20(30)16-14(9-15(25-26-1 6)24-19(29)11-7-8-11)23-1 3-6-4-5-12(17(13)31-3)18- 22-10-28(2)27-18/h4-6,9-1 1H,7-8H2,1-3H3,(H,21,30)( H2,23,24,25,29); BZZKEPGENYLQSC-UHFFFAOYSA-N |
C(Nc1nnc(c(c1)Nc3c(c(c2nn(C)cn2)ccc3)OC) C(NC)=O)(C4CC4)=O; CNC(=O)c1c(cc(nn1)NC( =O)C2CC2)Nc3cccc(c3OC)c4ncn(n4)C; CNC(=O )c1nnc(NC(=O)C2CC2)cc1Nc3cccc(c4ncn(C)n4 )c3OC |
6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide |
| 31954 |  LB8 CHEMBL4465031 |
1 | C29 H32 F3 N5 O3 | InChI=1S/C29H32F3N5O3/c1- 18-12-14-20(27(39)35-23(2 6(33)38)15-13-19-8-4-2-5- 9-19)16-24(18)36-28(40)22 -17-34-37(25(22)29(30,31) 32)21-10-6-3-7-11-21/h3,6 -7,10-12,14,16-17,19,23H, 2,4-5,8-9,13,15H2,1H3,(H2 ,33,38)(H,35,39)(H,36,40) /t23-/m0/s1; ARAZWGAZTSHNHP-QHCPKHFHSA-N |
Cc1ccc(cc1NC(=O)c2cnn(c3ccccc3)c2C(F)(F) F)C(=O)N[CH](CCC4CCCCC4)C(N)=O; Cc1ccc(c c1NC(=O)c2cnn(c2C(F)(F)F)c3ccccc3)C(=O)N C(CCC4CCCCC4)C(=O)N; Cc1ccc(cc1NC(=O)c2c nn(c2C(F)(F)F)c3ccccc3)C(=O)N[C@@H](CCC4 CCCCC4)C(=O)N; Cc1ccc(cc1NC(=O)c2cnn(c3c cccc3)c2C(F)(F)F)C(=O)N[C@@H](CCC4CCCCC4 )C(N)=O |
~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide |
| 31955 |  LB9 |
0 | C5 H16 N2 | InChI=1S/C5H14N2/c6-4-2-1 -3-5-7/h1-7H2/p+2; VHRGRCVQAFMJIZ-UHFFFAOYSA-P |
[NH3+]CCCCC[NH3+]; C(CC[NH3+])CC[NH3+] | 5-azaniumylpentylazanium; cadaverine (protonated) |
| 31956 |  LBA CHEMBL2042172 ZINC000084728876 |
1 | C31 H24 N4 O7 | InChI=1S/C31H24N4O7/c36-2 1(15-41-22-7-1-17(2-8-22) 28-32-24-11-5-19(30(37)38 )13-26(24)34-28)16-42-23- 9-3-18(4-10-23)29-33-25-1 2-6-20(31(39)40)14-27(25) 35-29/h1-14,21,36H,15-16H 2,(H,32,34)(H,33,35)(H,37 ,38)(H,39,40); GBODXIMEGJFLQT-UHFFFAOYSA-N |
O[C@H](COc1ccc(cc1)c2[nH]c3ccc(cc3n2)C(O )=O)COc4ccc(cc4)c5[nH]c6cc(ccc6n5)C(O)=O ; c1cc(ccc1c2[nH]c3ccc(cc3n2)C(=O)O)OCC( COc4ccc(cc4)c5[nH]c6cc(ccc6n5)C(=O)O)O; O[CH](COc1ccc(cc1)c2[nH]c3ccc(cc3n2)C(O) =O)COc4ccc(cc4)c5[nH]c6cc(ccc6n5)C(O)=O; c4(OCC(COc1ccc(cc1)c2nc3c(n2)cc(cc3)C(O )=O)O)ccc(cc4)c5nc6c(n5)ccc(c6)C(O)=O; c 1cc(ccc1c2[nH]c3ccc(cc3n2)C(=O)O)OC[C@H] (COc4ccc(cc4)c5[nH]c6cc(ccc6n5)C(=O)O)O |
2-(4-{3-[4-(6-carboxy-1H-benzimidazol-2-yl)phenoxy]-2-hydroxypropoxy}phenyl)-1H-benzimidazole-5-carboxylic acid |
| 31957 |  LBB CHEMBL4476320 |
1 | C29 H35 N5 O3 | InChI=1S/C29H35N5O3/c1-19 -12-14-22(28(36)32-24(27( 30)35)15-13-21-9-4-3-5-10 -21)16-25(19)33-29(37)23- 17-31-34(18-23)26-11-7-6- 8-20(26)2/h6-8,11-12,14,1 6-18,21,24H,3-5,9-10,13,1 5H2,1-2H3,(H2,30,35)(H,32 ,36)(H,33,37)/t24-/m0/s1; TUROENOKNBFMBG-DEOSSOPVSA-N |
Cc1ccccc1n2cc(cn2)C(=O)Nc3cc(ccc3C)C(=O) N[C@@H](CCC4CCCCC4)C(=O)N; Cc1ccc(cc1NC( =O)c2cnn(c2)c3ccccc3C)C(=O)N[C@@H](CCC4C CCCC4)C(N)=O; Cc1ccc(cc1NC(=O)c2cnn(c2)c 3ccccc3C)C(=O)N[CH](CCC4CCCCC4)C(N)=O; C c1ccccc1n2cc(cn2)C(=O)Nc3cc(ccc3C)C(=O)N C(CCC4CCCCC4)C(=O)N |
~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide |
| 31958 |  LBC |
1 | C14 H13 I N2 O | InChI=1S/C14H13IN2O/c1-10 -5-6-16-9-13(10)17-14(18) 8-11-3-2-4-12(15)7-11/h2- 7,9H,8H2,1H3,(H,17,18); MUVSGYUDBWMCJG-UHFFFAOYSA-N |
Cc1ccncc1NC(=O)Cc2cccc(I)c2; Cc1ccncc1NC (=O)Cc2cccc(c2)I; O=C(Nc1cnccc1C)Cc1cccc (I)c1 |
2-(3-iodophenyl)-N-(4-methylpyridin-3-yl)acetamide |
| 31959 |  LBD CHEMBL5201542 |
1 | C20 H27 N7 | InChI=1S/C20H27N7/c1-13-1 2-21-9-10-27(13)19-22-15- 8-6-5-7-14(15)18(24-19)23 -17-11-16(25-26-17)20(2,3 )4/h5-8,11,13,21H,9-10,12 H2,1-4H3,(H2,22,23,24,25, 26)/t13-/m1/s1; NPABSCSMTWXIFP-CYBMUJFWSA-N |
CC1CNCCN1c2nc3ccccc3c(n2)Nc4cc(n[nH]4)C( C)(C)C; CC1CNCCN1c2nc(c3c(n2)cccc3)Nc4nn c(C(C)(C)C)c4; C[C@@H]1CNCCN1c2nc3ccccc3 c(n2)Nc4cc(n[nH]4)C(C)(C)C; C[C@@H]1CNCC N1c2nc(Nc3[nH]nc(c3)C(C)(C)C)c4ccccc4n2; C[CH]1CNCCN1c2nc(Nc3[nH]nc(c3)C(C)(C)C) c4ccccc4n2 |
N-(3-tert-butyl-1H-pyrazol-5-yl)-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine |
| 31960 |  LBE CHEMBL4436748 |
1 | C27 H33 N5 O2 | InChI=1S/C27H33N5O2/c28-2 5-24(19-31-32(25)23-11-5- 2-6-12-23)27(34)30-18-21- 13-15-22(16-14-21)26(33)2 9-17-7-10-20-8-3-1-4-9-20 /h2,5-6,11-16,19-20H,1,3- 4,7-10,17-18,28H2,(H,29,3 3)(H,30,34); HXNUFFCHRIWTRZ-UHFFFAOYSA-N |
c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(= O)NCCCC4CCCCC4)N; Nc1n(ncc1C(=O)NCc2ccc( cc2)C(=O)NCCCC3CCCCC3)c4ccccc4 |
5-azanyl-~{N}-[[4-(3-cyclohexylpropylcarbamoyl)phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide |
| 31961 |  LBF CHEMBL486133 ZINC000017654252 |
2 | C33 H48 O6 | InChI=1S/C33H48O6/c1-9-28 (14-15-29-24(5)13-16-31(3 6)39-29)19-22(3)12-10-11- 21(2)17-25(6)32(37)27(8)3 3(38)26(7)18-23(4)20-30(3 4)35/h10-11,13-17,19-20,2 2,24-27,29,33,38H,9,12,18 H2,1-8H3,(H,34,35)/b11-10 +,15-14+,21-17+,23-20+,28 -19-/t22-,24+,25-,26+,27- ,29+,33-/m1/s1; YACHGFWEQXFSBS-XYERBDPFSA-N |
CC/C(=C/[C@H](C)C/C=C/C(=C/[C@@H](C)C(=O )[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O) /C)O)/C)/C=C/[C@H]1[C@H](C=CC(=O)O1)C; O =C(O)\C=C(/C)CC(C)C(O)C(C(=O)C(/C=C(/C=C /CC(/C=C(\C=C\C1OC(=O)C=CC1C)CC)C)C)C)C; CCC(=CC(C)CC=CC(=CC(C)C(=O)C(C)C(C(C)CC (=CC(=O)O)C)O)C)C=CC1C(C=CC(=O)O1)C; CCC (C=C[CH]1OC(=O)C=C[CH]1C)=C[CH](C)CC=CC( C)=C[CH](C)C(=O)[CH](C)[CH](O)[CH](C)CC( C)=CC(O)=O; CCC(/C=C/[C@@H]1OC(=O)C=C[C@ @H]1C)=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)C (=O)[C@@H](C)[C@H](O)[C@@H](C)CC(/C)=C/C (O)=O |
Leptomycin B |
| 31962 |  LBG CHEMBL5406616 |
4 | C20 H14 Cl F2 N O5 S | InChI=1S/C20H14ClF2NO5S/c 1-29-20(26)12-7-14(21)19( 25)18(8-12)30(27,28)24-17 -9-13(15(22)10-16(17)23)1 1-5-3-2-4-6-11/h2-10,24-2 5H,1H3; YSTSHUWHIDBZAK-UHFFFAOYSA-N |
COC(=O)c1cc(Cl)c(O)c(c1)[S](=O)(=O)Nc2cc (c(F)cc2F)c3ccccc3; c1(Cl)c(O)c(cc(c1)C( OC)=O)S(Nc2cc(c(cc2F)F)c3ccccc3)(=O)=O; COC(=O)c1cc(c(c(c1)Cl)O)S(=O)(=O)Nc2cc(c (cc2F)F)c3ccccc3 |
methyl 3-chloro-5-[(4,6-difluoro[1,1'-biphenyl]-3-yl)sulfamoyl]-4-hydroxybenzoate |
| 31963 |  LBH CHEMBL483254 DB06603 ZINC000022010649 |
2 | C21 H23 N3 O2 | InChI=1S/C21H23N3O2/c1-15 -18(19-4-2-3-5-20(19)23-1 5)12-13-22-14-17-8-6-16(7 -9-17)10-11-21(25)24-26/h 2-11,22-23,26H,12-14H2,1H 3,(H,24,25)/b11-10+; FPOHNWQLNRZRFC-ZHACJKMWSA-N |
Cc1[nH]c2ccccc2c1CCNCc3ccc(/C=C/C(=O)NO) cc3; Cc1c(c2ccccc2[nH]1)CCNCc3ccc(cc3)/C =C/C(=O)NO; Cc1[nH]c2ccccc2c1CCNCc3ccc(C =CC(=O)NO)cc3; Cc1c(c2ccccc2[nH]1)CCNCc3 ccc(cc3)C=CC(=O)NO |
Panobinostat |
| 31964 |  LBI ZINC000039168460 |
1 | C10 H9 N O2 | InChI=1S/C10H9NO2/c1-13-1 0-4-2-3-9-8(10)5-7(6-12)1 1-9/h2-6,11H,1H3; BMUMJEKBMVREKT-UHFFFAOYSA-N |
COc1cccc2c1cc([nH]2)C=O; COc1cccc2[NH]c( cc21)C=O; COc1cccc2[nH]c(C=O)cc12 |
4-methoxy-1H-indole-2-carbaldehyde |
| 31965 |  LBJ CHEMBL266084 ZINC000019202437 |
1 | C12 H14 N2 O | InChI=1S/C12H14N2O/c1-15- 8-2-3-11-10(6-8)9-4-5-13- 7-12(9)14-11/h2-3,6,13-14 H,4-5,7H2,1H3; QYMDEOQLJUUNOF-UHFFFAOYSA-N |
COc1ccc2[nH]c3CNCCc3c2c1; COc1ccc2c(c1)c 3c([nH]2)CNCC3 |
6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole |
| 31966 |  LBK CHEMBL1714813 ZINC000000116772 |
2 | C18 H19 N3 O2 | InChI=1S/C18H19N3O2/c1-12 (13-7-5-4-6-8-13)21-18-14 -9-16(22-2)17(23-3)10-15( 14)19-11-20-18/h4-12H,1-3 H3,(H,19,20,21)/t12-/m1/s 1; RJFMUYZWDLSYSX-GFCCVEGCSA-N |
C[C@H](c1ccccc1)Nc2c3cc(c(cc3ncn2)OC)OC; COc1cc2ncnc(N[CH](C)c3ccccc3)c2cc1OC; C C(c1ccccc1)Nc2c3cc(c(cc3ncn2)OC)OC; COc1 cc2ncnc(N[C@H](C)c3ccccc3)c2cc1OC |
6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine |
| 31967 |  LBL ZINC000100045818 |
4 | C12 H22 O11 | InChI=1S/C12H22O11/c13-1- 4(16)7(18)11(5(17)2-14)23 -12-10(21)9(20)8(19)6(3-1 5)22-12/h1,4-12,14-21H,2- 3H2/t4-,5+,6+,7+,8-,9-,10 +,11+,12-/m0/s1; DKXNBNKWCZZMJT-JVCRWLNRSA-N |
OC[CH](O)[CH](O[CH]1O[CH](CO)[CH](O)[CH] (O)[CH]1O)[CH](O)[CH](O)C=O; C(C1C(C(C(C (O1)OC(C(CO)O)C(C(C=O)O)O)O)O)O)O; C([C@ @H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H] ([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O) O; OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[ C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O) C=O |
(2~{R},3~{R},4~{R},5~{R})-4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5, 6-tetrakis(oxidanyl)hexanal; 4-O-beta-D-Galactopyranosyl-D-glucose |
| 31968 |  LBM CHEMBL3137309 DB11581 ZINC000150338755 |
5 | C45 H50 Cl N7 O7 S | InChI=1S/C45H50ClN7O7S/c1 -45(2)15-11-33(39(26-45)3 1-3-5-34(46)6-4-31)29-51- 17-19-52(20-18-51)35-7-9- 38(42(24-35)60-36-23-32-1 2-16-47-43(32)49-28-36)44 (54)50-61(57,58)37-8-10-4 0(41(25-37)53(55)56)48-27 -30-13-21-59-22-14-30/h3- 10,12,16,23-25,28,30,48H, 11,13-15,17-22,26-27,29H2 ,1-2H3,(H,47,49)(H,50,54); LQBVNQSMGBZMKD-UHFFFAOYSA-N |
c1c(Cl)ccc(c1)C8=C(CN2CCN(CC2)c5cc(Oc4cc 3c(ncc3)nc4)c(cc5)C(=O)NS(c7ccc(NCC6CCOC C6)c(c7)[N+]([O-])=O)(=O)=O)CCC(C)(C8)C; CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c 4ccc(c(c4)Oc5cc6cc[nH]c6nc5)C(=O)NS(=O)( =O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C; CC1(C)CCC(=C(C1)c2ccc(Cl)cc2)CN3CCN(CC3 )c4ccc(C(=O)N[S](=O)(=O)c5ccc(NCC6CCOCC6 )c(c5)[N+]([O-])=O)c(Oc7cnc8[nH]ccc8c7)c 4 |
4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl )methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide; Venetoclax, 2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)pipe razin-1-yl)-N-((3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)phenyl)sulfonyl)benzamide |
| 31969 |  LBN |
504 | C42 H82 N O8 P | InChI=1S/C42H82NO8P/c1-6- 8-10-12-14-16-18-20-21-23 -25-27-29-31-33-35-42(45) 51-40(39-50-52(46,47)49-3 7-36-43(3,4)5)38-48-41(44 )34-32-30-28-26-24-22-19- 17-15-13-11-9-7-2/h20-21, 40H,6-19,22-39H2,1-5H3/b2 1-20-/t40-/m1/s1; WTJKGGKOPKCXLL-VYOBOKEXSA-N |
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC [N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC; CC CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O CC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC ; CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-] )(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CC CCCCCC; CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P] ([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC= CCCCCCCCC; C(C(COC(CCCCCCCCCCCCCCC)=O)OC (CCCCCCCC=[C@H]CCCCCCCC)=O)OP(OCC[N+](C) (C)C)([O-])=O |
1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine; (2R)-2-[(9Z)-9-Octadecenoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate |
| 31970 |  LBO |
1 | C17 H18 N2 O | InChI=1S/C17H18N2O/c1-12- 7-8-18-11-16(12)19-17(20) 10-13-3-2-4-15(9-13)14-5- 6-14/h2-4,7-9,11,14H,5-6, 10H2,1H3,(H,19,20); PTTAFUMPUWHBTC-UHFFFAOYSA-N |
O=C(Nc1cnccc1C)Cc1cccc(c1)C1CC1; Cc1ccnc c1NC(=O)Cc2cccc(c2)C3CC3 |
2-(3-cyclopropylphenyl)-N-(4-methylpyridin-3-yl)acetamide |
| 31971 |  LBP ZINC000058650391 |
1 | C8 H19 N2 O6 P S | InChI=1S/C8H19N2O6PS/c1-2 -3-5-18(16,10-17(13,14)15 )6-4-7(9)8(11)12/h7H,2-6, 9H2,1H3,(H,11,12)(H2,13,1 4,15)/t7-,18-/m0/s1; ZUVPFRZYYQZWPS-VIIUKITBSA-N |
CCCC[S@](=O)(CC[C@H](N)C(O)=O)=N[P](O)(O )=O; CCCC[S@](=NP(=O)(O)O)(=O)CC[C@@H](C (=O)O)N; CCCC[S](=O)(CC[CH](N)C(O)=O)=N[ P](O)(O)=O; O=S(=NP(=O)(O)O)(CCC(N)C(=O) O)CCCC; CCCCS(=NP(=O)(O)O)(=O)CCC(C(=O)O )N |
(2S)-2-amino-4-(S-butyl-N-phosphonosulfonimidoyl)butanoic acid |
| 31972 |  LBQ ZINC000019915549 |
2 | C11 H12 N2 O3 S | InChI=1S/C11H12N2O3S/c12- 17(14,15)11-5-3-9(4-6-11) 13-8-10-2-1-7-16-10/h1-7, 13H,8H2,(H2,12,14,15); GTFXUNQMJHDIRE-UHFFFAOYSA-N |
c1cc(oc1)CNc2ccc(cc2)S(=O)(=O)N; N[S](=O )(=O)c1ccc(NCc2occc2)cc1 |
4-(furan-2-ylmethylamino)benzenesulfonamide |
| 31973 |  LBR ZINC000263621119 |
1 | C30 H57 Br O5 | InChI=1S/C30H57BrO5/c1-2- 3-4-5-6-7-8-12-15-18-21-2 4-30(34)36-28(26-32)27-35 -29(33)23-20-17-14-11-9-1 0-13-16-19-22-25-31/h28,3 2H,2-27H2,1H3/t28-/m0/s1; VHCCBJMTBOAHLF-NDEPHWFRSA-N |
CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC CCCCCCCCBr; CCCCCCCCCCCCCC(=O)OC(CO)COC( =O)CCCCCCCCCCCCBr; BrCCCCCCCCCCCCC(=O)OC C(OC(CCCCCCCCCCCCC)=O)CO; CCCCCCCCCCCCCC (=O)O[CH](CO)COC(=O)CCCCCCCCCCCCBr |
(2S)-1-[(13-bromotridecanoyl)oxy]-3-hydroxypropan-2-yl tetradecanoate |
| 31974 |  LBS |
0 | C12 H22 O11 | InChI=1S/C12H22O11/c13-1- 5-7(16)10(19)12(4-15,23-5 )21-2-6-8(17)9(18)11(20,3 -14)22-6/h5-10,13-20H,1-4 H2/t5-,6-,7-,8-,9+,10+,11 -,12-/m1/s1; FEXBYMWJVRXRSN-TWOHWVPZSA-N |
C(C1C(C(C(O1)(CO)OCC2C(C(C(O2)(CO)O)O)O) O)O)O; OC[CH]1O[C](CO)(OC[CH]2O[C](O)(CO )[CH](O)[CH]2O)[CH](O)[CH]1O; OC[C@H]1O[ C@@](CO)(OC[C@H]2O[C@](O)(CO)[C@@H](O)[C @@H]2O)[C@@H](O)[C@@H]1O; O2C(COC1(OC(C( O)C1O)CO)CO)C(O)C(O)C2(O)CO; C([C@@H]1[C @H]([C@@H]([C@](O1)(CO)OC[C@@H]2[C@H]([C @@H]([C@](O2)(CO)O)O)O)O)O)O |
6-O-beta-D-fructofuranosyl-beta-D-fructofuranose |
| 31975 |  LBT |
0 | C12 H22 O11 | InChI=1S/C12H22O11/c13-1- 3-5(15)6(16)9(19)12(22-3) 23-10-4(2-14)21-11(20)8(1 8)7(10)17/h3-20H,1-2H2/t3 -,4-,5+,6+,7-,8-,9-,10-,1 1+,12+/m1/s1; GUBGYTABKSRVRQ-XLOQQCSPSA-N |
O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)C O; C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O 1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O )O)CO)O)O)O)O; C(C1C(C(C(C(O1)OC2C(OC(C( C2O)O)O)CO)O)O)O)O; OC[C@H]1O[C@@H](O[C@ H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO) [C@H](O)[C@@H](O)[C@H]1O; OC[CH]1O[CH](O [CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH]( O)[CH](O)[CH]1O |
ALPHA-LACTOSE |
| 31976 |  LBU ZINC000001484020 |
1 | C19 H16 O7 | InChI=1S/C19H16O7/c1-25-1 8(24)19(10-11-2-6-13(20)7 -3-11)15(16(22)17(23)26-1 9)12-4-8-14(21)9-5-12/h2- 9,20-22H,10H2,1H3/t19-/m0 /s1; AEKPZNDJHWFONI-IBGZPJMESA-N |
COC(=O)[C@@]1(C(=C(C(=O)O1)O)c2ccc(cc2)O )Cc3ccc(cc3)O; COC(=O)[C]1(Cc2ccc(O)cc2) OC(=O)C(=C1c3ccc(O)cc3)O; COC(=O)C1(C(=C (C(=O)O1)O)c2ccc(cc2)O)Cc3ccc(cc3)O; COC (=O)[C@@]1(Cc2ccc(O)cc2)OC(=O)C(=C1c3ccc (O)cc3)O; c1cc(O)ccc1CC2(C(=O)OC)OC(C(=C 2c3ccc(cc3)O)O)=O |
methyl (2S)-4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxo-2,5-dihydrofuran-2-carboxylate |
| 31977 |  LBV |
140 | C33 H37 N4 O6 | InChI=1S/C33H36N4O6/c1-7- 20-19(6)32(42)37-27(20)14 -25-18(5)23(10-12-31(40)4 1)29(35-25)15-28-22(9-11- 30(38)39)17(4)24(34-28)13 -26-16(3)21(8-2)33(43)36- 26/h7-8,13-15,19,35H,2,9- 12H2,1,3-6H3,(H,36,43)(H, 37,42)(H,38,39)(H,40,41)/ p+1/b20-7+,26-13-,27-14-, 28-15-/t19-/m0/s1; DKMLMZVDTGOEGU-ISEYCTJISA-O |
CC=C1C(C(=O)NC1=Cc2c(c(c([nH]2)C=C3C(=C( C(=[NH+]3)C=C4C(=C(C(=O)N4)C=C)C)C)CCC(= O)O)CCC(=O)O)C)C; C/C=C/1\C(C(=O)N\C1=C/ c2c(c(c([nH]2)/C=C\3/C(=C(C(=[NH+]3)/C=C \4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O) O)C)C; CC=C1[CH](C)C(=O)NC1=Cc2[nH]c(C=C 3[NH+]=C(C=C4NC(=O)C(=C4C)C=C)C(=C3CCC(O )=O)C)c(CCC(O)=O)c2C; C/C=C/1[C@H](C)C(= O)NC/1=C/c2[nH]c(/C=C/3[NH+]=C(/C=C/4NC( =O)C(=C/4C)C=C)C(=C/3CCC(O)=O)C)c(CCC(O) =O)c2C |
3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid; 2(R),3(E)- PHYTOCHROMOBILIN |
| 31978 |  LBW |
4 | C33 H37 N4 O6 | InChI=1S/C33H36N4O6/c1-7- 20-19(6)32(42)37-27(20)14 -25-18(5)23(10-12-31(40)4 1)29(35-25)15-28-22(9-11- 30(38)39)17(4)24(34-28)13 -26-16(3)21(8-2)33(43)36- 26/h7-8,13-15,19,35H,2,9- 12H2,1,3-6H3,(H,36,43)(H, 37,42)(H,38,39)(H,40,41)/ p+1/b20-7+,26-13-,27-14-, 28-15-/t19-/m1/s1; DKMLMZVDTGOEGU-UAWLBFNISA-O |
CC=C1C(C(=O)NC1=Cc2c(c(c([nH]2)C=C3C(=C( C(=[NH+]3)C=C4C(=C(C(=O)N4)C=C)C)C)CCC(= O)O)CCC(=O)O)C)C; C/C=C/1\[C@H](C(=O)N\C 1=C/c2c(c(c([nH]2)/C=C\3/C(=C(C(=[NH+]3) /C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC (=O)O)C)C; CC=C1[CH](C)C(=O)NC1=Cc2[nH]c (C=C3[NH+]=C(C=C4NC(=O)C(=C4C)C=C)C(=C3C CC(O)=O)C)c(CCC(O)=O)c2C; C/C=C/1[C@@H]( C)C(=O)NC/1=C/c2[nH]c(/C=C/3[NH+]=C(/C=C /4NC(=O)C(=C/4C)C=C)C(=C/3CCC(O)=O)C)c(C CC(O)=O)c2C |
3-[2-[(Z)-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid |
| 31979 |  LBX |
3 | C8 H11 N O5 | InChI=1S/C8H11NO5/c10-4-1 -3-9-7(8(13)14)6(12)2-5-1 1/h3-4,7,11H,1-2,5H2,(H,1 3,14)/b9-3+/t7-/m0/s1; PXXGDOCPYMGSFI-FHYFFISESA-N |
OCCC(=O)[CH](N=CCC=O)C(O)=O; OCCC(=O)[C@ H](N=CCC=O)C(O)=O; O=C(CCO)C(\N=C\CC=O)C (=O)O; C(CO)C(=O)C(C(=O)O)N=CCC=O; C(CO) C(=O)[C@@H](C(=O)O)/N=C/CC=O |
(E)-5-hydroxy-3-oxo-N-(3-oxopropylidene)-L-norvaline |
| 31980 |  LBY ZINC000002384792 |
2 | C11 H22 N2 O4 | InChI=1S/C11H22N2O4/c1-11 (2,3)17-10(16)13-7-5-4-6- 8(12)9(14)15/h8H,4-7,12H2 ,1-3H3,(H,13,16)(H,14,15) /t8-/m0/s1; VVQIIIAZJXTLRE-QMMMGPOBSA-N |
CC(C)(C)OC(=O)NCCCCC(C(=O)O)N; CC(C)(C)O C(=O)NCCCC[C@@H](C(=O)O)N; CC(C)(C)OC(=O )NCCCC[CH](N)C(O)=O; O=C(OC(C)(C)C)NCCCC C(C(=O)O)N; CC(C)(C)OC(=O)NCCCC[C@H](N)C (O)=O |
N~6~-(tert-butoxycarbonyl)-L-lysine |
| 31981 |  LBZ ZINC000001653057 |
0 | C13 H18 N2 O3 | InChI=1S/C13H18N2O3/c14-1 1(13(17)18)8-4-5-9-15-12( 16)10-6-2-1-3-7-10/h1-3,6 -7,11H,4-5,8-9,14H2,(H,15 ,16)(H,17,18)/t11-/m0/s1; KODLJWKGAKBGOB-NSHDSACASA-N |
c1ccc(cc1)C(=O)NCCCC[C@@H](C(=O)O)N; c1c cc(cc1)C(=O)NCCCCC(C(=O)O)N; N[CH](CCCCN C(=O)c1ccccc1)C(O)=O; N[C@@H](CCCCNC(=O) c1ccccc1)C(O)=O |
(2~{S})-2-azanyl-6-benzamido-hexanoic acid |
| 31982 |  LC CHEMBL1229566 |
0 | C9 H14 N3 O8 P | InChI=1/C9H14N3O8P/c10-5- 1-2-12(9(15)11-5)8-7(14)6 (13)4(20-8)3-19-21(16,17) 18/h1-2,4,6-8,13-14H,3H2, (H2,10,11,15)(H2,16,17,18 )/t4-,6-,7-,8-/m0/s1/f/h1 6-17H,10H2; IERHLVCPSMICTF-BORRGLOHDM |
NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)= O)[CH](O)[CH]2O; C1=CN(C(=O)N=C1N)C2C(C( C(O2)COP(=O)(O)O)O)O; NC1=NC(=O)N(C=C1)[ C@H]2O[C@@H](CO[P](O)(O)=O)[C@H](O)[C@@H ]2O; C1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@H] ([C@@H](O2)COP(=O)(O)O)O)O; O=C1N=C(N)C= CN1C2OC(C(O)C2O)COP(=O)(O)O |
L-CYTIDINE-5'-MONOPHOSPHATE |
| 31983 |  LC0 CHEMBL1087662 ZINC000049112169 |
1 | C23 H24 N6 O4 | InChI=1S/C23H24N6O4/c1-29 -12-16(9-27-29)19-10-26-2 2(24)23(28-19)33-14-17-8- 20(31-3)21(11-25-17)32-13 -15-4-6-18(30-2)7-5-15/h4 -12H,13-14H2,1-3H3,(H2,24 ,26); FYNJLBSSIPLISK-UHFFFAOYSA-N |
COc1ccc(COc2cnc(COc3nc(cnc3N)c4cnn(C)c4) cc2OC)cc1; Cn1cc(cn1)c2cnc(c(n2)OCc3cc(c (cn3)OCc4ccc(cc4)OC)OC)N |
3-({4-methoxy-5-[(4-methoxybenzyl)oxy]pyridin-2-yl}methoxy)-5-(1-methyl-1H-pyrazol-4-yl)pyrazin-2-amine |
| 31984 |  LC1 CHEMBL455271 DB08083 ZINC000039716428 |
1 | C10 H8 N4 O2 S2 | InChI=1S/C10H8N4O2S2/c11- 18(15,16)6-1-2-7-8(3-6)14 -10(13-7)9-4-17-5-12-9/h1 -5H,(H,13,14)(H2,11,15,16 ); KGMVTZZDGKDTEU-UHFFFAOYSA-N |
O=S(=O)(N)c3ccc2c(nc(c1ncsc1)n2)c3; c1cc 2c(cc1S(=O)(=O)N)nc([nH]2)c3cscn3; N[S]( =O)(=O)c1ccc2[nH]c(nc2c1)c3cscn3 |
2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamide |
| 31985 |  LC2 CHEMBL1233965 ZINC000100302768 |
0 | C25 H33 N O7 | InChI=1S/C25H33NO7/c1-14- 6-9-18(28)10-8-15(2)12-21 (26-23(31)17(4)27)25(5)22 (30)16(3)20(33-24(25)32)1 3-19(29)11-7-14/h6-8,10-1 2,16,18-21,28-29H,9,13H2, 1-5H3,(H,26,31)/b10-8+,11 -7+,14-6+,15-12+/t16-,18+ ,19-,20-,21-,25+/m1/s1; ATDILMLBOZKFGI-JUTMVFGESA-N |
CC1C2CC(C=CC(=CCC(C=CC(=CC(C(C1=O)(C(=O) O2)C)NC(=O)C(=O)C)C)O)C)O; C[C@@H]1[C@H] 2C[C@H](O)/C=C/C(=C/C[C@H](O)/C=C/C(=C/[ C@@H](NC(=O)C(C)=O)[C@](C)(C(=O)O2)C1=O) C)C; C[C@@H]1[C@H]2C[C@@H](/C=C/C(=C/C[C @@H](/C=C/C(=C/[C@H]([C@@](C1=O)(C(=O)O2 )C)NC(=O)C(=O)C)/C)O)/C)O; C[CH]1[CH]2C[ CH](O)C=CC(=CC[CH](O)C=CC(=C[CH](NC(=O)C (C)=O)[C](C)(C(=O)O2)C1=O)C)C; O=C(C(=O) NC2C=C(C=CC(O)CC=C(C=CC(O)CC1OC(=O)C2(C( =O)C1C)C)C)C)C |
N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-oxopropanamide; Lankacidin C |
| 31986 |  LC3 CHEMBL3126113 ZINC000095609525 |
6 | C28 H22 N2 O5 | InChI=1S/C28H22N2O5/c31-2 7(32)20-15-13-19(14-16-20 )23-10-4-11-24-22(26(28(3 3)34)29-30(23)24)9-5-17-3 5-25-12-3-7-18-6-1-2-8-21 (18)25/h1-4,6-8,10-16H,5, 9,17H2,(H,31,32)(H,33,34); ONFKCHIVKBXORY-UHFFFAOYSA-N |
c1ccc2c(c1)cccc2OCCCc3c4cccc(n4nc3C(=O)O )c5ccc(cc5)C(=O)O; OC(=O)c1ccc(cc1)c2ccc c3n2nc(C(O)=O)c3CCCOc4cccc5ccccc45; O=C( O)c5ccc(c1cccc2c(c(nn12)C(=O)O)CCCOc4c3c cccc3ccc4)cc5 |
7-(4-carboxyphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid |
| 31987 |  LC4 ZINC000039296097 |
2 | C15 H26 N2 O2 | InChI=1S/C15H26N2O2/c18-1 5(19)10-8-6-4-2-1-3-5-7-9 -12-17-13-11-16-14-17/h11 ,13-14H,1-10,12H2,(H,18,1 9); XMSOPSLXOAQSRQ-UHFFFAOYSA-N |
OC(=O)CCCCCCCCCCCn1ccnc1; c1cn(cn1)CCCCC CCCCCCC(=O)O |
12-(1H-imidazol-1-yl)dodecanoic acid |
| 31988 |  LC5 ZINC000584905590 |
2 | C18 H24 N O5 P | InChI=1S/C18H24NO5P/c1-19 (21)18(20)12-14(13-25(22, 23)24)6-4-8-16-10-5-9-15- 7-2-3-11-17(15)16/h2-3,5, 7,9-11,14,21H,4,6,8,12-13 H2,1H3,(H2,22,23,24)/t14- /m1/s1; HUBGFLNAUJJVOG-CQSZACIVSA-N |
O=C(CC(CP(O)(O)=O)CCCc2c1ccccc1ccc2)N(O) C; CN(C(=O)C[C@@H](CCCc1cccc2c1cccc2)CP( =O)(O)O)O; CN(O)C(=O)C[C@@H](CCCc1cccc2c cccc12)C[P](O)(O)=O; CN(O)C(=O)C[CH](CCC c1cccc2ccccc12)C[P](O)(O)=O; CN(C(=O)CC( CCCc1cccc2c1cccc2)CP(=O)(O)O)O |
[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(naphthalen-1-yl)pentyl]phosphonic acid |
| 31989 |  LC6 CHEMBL3126119 ZINC000150344387 |
10 | C47 H46 N6 O8 S2 | InChI=1S/C47H46N6O8S2/c1- 31-28-33(46(54)50-63(59,6 0)36-22-24-40(43(29-36)53 (57)58)48-34(25-26-51(2)3 )30-62-35-14-5-4-6-15-35) 21-23-37(31)41-18-10-19-4 2-39(45(47(55)56)49-52(41 )42)17-11-27-61-44-20-9-1 3-32-12-7-8-16-38(32)44/h 4-10,12-16,18-24,28-29,34 ,48H,11,17,25-27,30H2,1-3 H3,(H,50,54)(H,55,56)/t34 -/m1/s1; BNBDPYUSBJEPGX-UUWRZZSWSA-N |
Cc1cc(ccc1c2cccc3n2nc(c3CCCOc4cccc5c4ccc c5)C(=O)O)C(=O)NS(=O)(=O)c6ccc(c(c6)[N+] (=O)[O-])N[C@H](CCN(C)C)CSc7ccccc7; [O-] [N+](=O)c2cc(ccc2NC(CCN(C)C)CSc1ccccc1)S (=O)(=O)NC(=O)c7ccc(c3cccc4c(c(nn34)C(=O )O)CCCOc6c5ccccc5ccc6)c(c7)C; Cc1cc(ccc1 c2cccc3n2nc(c3CCCOc4cccc5c4cccc5)C(=O)O) C(=O)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])N C(CCN(C)C)CSc7ccccc7; CN(C)CC[CH](CSc1cc ccc1)Nc2ccc(cc2[N+]([O-])=O)[S](=O)(=O)N C(=O)c3ccc(c(C)c3)c4cccc5n4nc(C(O)=O)c5C CCOc6cccc7ccccc67; CN(C)CC[C@H](CSc1cccc c1)Nc2ccc(cc2[N+]([O-])=O)[S](=O)(=O)NC( =O)c3ccc(c(C)c3)c4cccc5n4nc(C(O)=O)c5CCC Oc6cccc7ccccc67 |
7-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid |
| 31990 |  LC7 ZINC000584905589 |
2 | C14 H21 F N O5 P | InChI=1S/C14H21FNO5P/c1-1 6(18)14(17)9-12(10-22(19, 20)21)6-2-4-11-5-3-7-13(1 5)8-11/h3,5,7-8,12,18H,2, 4,6,9-10H2,1H3,(H2,19,20, 21)/t12-/m1/s1; HGIGLZBKPPPKTL-GFCCVEGCSA-N |
CN(O)C(=O)C[C@@H](CCCc1cccc(F)c1)C[P](O) (O)=O; CN(C(=O)C[C@@H](CCCc1cccc(c1)F)CP (=O)(O)O)O; CN(C(=O)CC(CCCc1cccc(c1)F)CP (=O)(O)O)O; CN(O)C(=O)C[CH](CCCc1cccc(F) c1)C[P](O)(O)=O; O=C(CC(CP(O)(O)=O)CCCc1 cc(ccc1)F)N(O)C |
[(2R)-5-(3-fluorophenyl)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}pentyl]phosphonic acid |
| 31991 |  LC8 ZINC000004116630 |
1 | C11 H11 N3 O5 S | InChI=1S/C11H11N3O5S/c12- 20(17,18)9-3-4-10(11(6-9) 14(15)16)13-7-8-2-1-5-19- 8/h1-6,13H,7H2,(H2,12,17, 18); NJOZGYRHKPIPKC-UHFFFAOYSA-N |
c1cc(oc1)CNc2ccc(cc2[N+](=O)[O-])S(=O)(= O)N; N[S](=O)(=O)c1ccc(NCc2occc2)c(c1)[N +]([O-])=O |
4-(furan-2-ylmethylamino)-3-nitro-benzenesulfonamide |
| 31992 |  LC9 CHEMBL6509 ZINC000000152322 |
0 | C9 H10 N2 | InChI=1S/C9H10N2/c10-5-7- 6-11-9-4-2-1-3-8(7)9/h1-4 ,6,11H,5,10H2; JXYGLMATGAAIBU-UHFFFAOYSA-N |
NCc1c[nH]c2ccccc12; c1ccc2c(c1)c(c[nH]2) CN |
1H-indol-3-ylmethanamine |
| 31993 |  LCA ZINC000034940869 |
0 | C11 H14 N5 O7 P | InChI=1S/C11H14N5O7P/c12- 8-5-9(14-3-13-8)16(4-15-5 )10-6-7(17)11(23-10,1-21- 6)2-22-24(18,19)20/h3-4,6 -7,10,17H,1-2H2,(H2,12,13 ,14)(H2,18,19,20)/t6-,7+, 10-,11-/m1/s1; OBTOXYBRQOXRBH-LRMGWDNHSA-N |
c1nc(c2c(n1)n(cn2)C3C4C(C(O3)(CO4)COP(=O )(O)O)O)N; O=P(O)(O)OCC43OC(n1cnc2c(ncnc 12)N)C(OC3)C4O; Nc1ncnc2n(cnc12)[CH]3O[C ]4(CO[CH]3[CH]4O)CO[P](O)(O)=O; c1nc(c2c (n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@@](O3)(C O4)COP(=O)(O)O)O)N; Nc1ncnc2n(cnc12)[C@@ H]3O[C@]4(CO[C@@H]3[C@@H]4O)CO[P](O)(O)= O |
[(1R,3R,4R,7S)-7-HYDROXY-3-(ADENIN-9-YL)-2,5-DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN PHOSPHATE |
| 31994 |  LCB CHEMBL4090226 |
1 | C13 H14 N6 O2 S | InChI=1S/C13H14N6O2S/c1-2 -10-11-12(16-7-15-11)19-1 3(18-10)17-8-3-5-9(6-4-8) 22(14,20)21/h3-7H,2H2,1H3 ,(H2,14,20,21)(H2,15,16,1 7,18,19); UZLCQAXOQKFVGP-UHFFFAOYSA-N |
CCc1c2c(nc[nH]2)nc(n1)Nc3ccc(cc3)S(=O)(= O)N; CCc1nc(Nc2ccc(cc2)[S](N)(=O)=O)nc3n c[nH]c13 |
4-[(6-ethyl-7~{H}-purin-2-yl)amino]benzenesulfonamide |
| 31995 |  LCC ZINC000034940871 |
0 | C11 H16 N3 O8 P | InChI=1S/C11H16N3O8P/c1-5 -2-14(10(16)13-8(5)12)9-6 -7(15)11(22-9,3-20-6)4-21 -23(17,18)19/h2,6-7,9,15H ,3-4H2,1H3,(H2,12,13,16)( H2,17,18,19)/t6-,7+,9-,11 -/m1/s1; RSSHBVFUGGVGMZ-YRCORFKGSA-N |
O=C1N=C(N)C(=CN1C3OC2(C(O)C3OC2)COP(=O)( O)O)C; CC1=CN([C@@H]2O[C@]3(CO[C@@H]2[C@ @H]3O)CO[P](O)(O)=O)C(=O)N=C1N; CC1=CN(C (=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(C O3)COP(=O)(O)O)O; CC1=CN(C(=O)N=C1N)C2C3 C(C(O2)(CO3)COP(=O)(O)O)O; CC1=CN([CH]2O [C]3(CO[CH]2[CH]3O)CO[P](O)(O)=O)C(=O)N= C1N |
[(1R,3R,4R,7S)-7-HYDROXY-3-(5-METHYLCYTOSIN-1-YL)-2,5-DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN PHOSPHATE |
| 31996 |  LCD CHEMBL3416205 ZINC000012890027 |
1 | C19 H16 O7 | InChI=1S/C19H16O7/c1-23-1 4-6-3-11(7-16(14)24-2)8-1 7-19(22)13-5-4-12(9-15(13 )26-17)25-10-18(20)21/h3- 9H,10H2,1-2H3,(H,20,21)/b 17-8-; OYUZJJUVKBNAII-IUXPMGMMSA-N |
COc1ccc(cc1OC)/C=C\2/C(=O)c3ccc(cc3O2)OC C(=O)O; COc1ccc(cc1OC)/C=C/2Oc3cc(OCC(O) =O)ccc3C/2=O; O=C(O)COc3ccc1c(O/C(C1=O)= C\c2ccc(OC)c(OC)c2)c3; COc1ccc(cc1OC)C=C 2C(=O)c3ccc(cc3O2)OCC(=O)O; COc1ccc(cc1O C)C=C2Oc3cc(OCC(O)=O)ccc3C2=O |
{[(2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetic acid |
| 31997 |  LCE ZINC000058639102 |
2 | C8 H8 Cl2 O4 S | InChI=1S/C8H8Cl2O4S/c1-14 -7-3(6(12)13)2-4(11)8(9,1 0)5(2)15-7/h2-3,5,7H,1H3, (H,12,13)/t2-,3-,5-,7-/m0 /s1; PELFTKQNZKVHIO-NXTKUWPGSA-N |
COC1C(C2C(S1)C(C2=O)(Cl)Cl)C(=O)O; O=C(O )C1C2C(=O)C(Cl)(Cl)C2SC1OC; CO[CH]1S[CH] 2[CH]([CH]1C(O)=O)C(=O)C2(Cl)Cl; CO[C@@H ]1[C@@H]([C@@H]2[C@H](S1)C(C2=O)(Cl)Cl)C (=O)O; CO[C@H]1S[C@H]2[C@@H]([C@H]1C(O)= O)C(=O)C2(Cl)Cl |
(1S,3S,4S,5S)-7,7-dichloro-3-methoxy-2-thiabicyclo[3.2.0]heptan-6-one-4-carboxylic acid; (1S,3S,4S,5S)-7,7-dichloro-3-methoxy-6-oxo-2-thiabicyclo[3.2.0]heptane-4-carboxylic acid |
| 31998 |  LCF CHEMBL300982 DB04725 ZINC000003805769 |
2 | C23 H22 Cl N O2 | InChI=1S/C23H22ClNO2/c1-2 3(2)13-19-22(15-6-4-3-5-7 -15)21(16-8-10-17(24)11-9 -16)18(12-20(26)27)25(19) 14-23/h3-11H,12-14H2,1-2H 3,(H,26,27); UAWXGRJVZSAUSZ-UHFFFAOYSA-N |
CC1(C)Cn2c(CC(O)=O)c(c3ccc(Cl)cc3)c(c4cc ccc4)c2C1; CC1(Cc2c(c(c(n2C1)CC(=O)O)c3c cc(cc3)Cl)c4ccccc4)C; Clc4ccc(c1c(n3c(c1 c2ccccc2)CC(C)(C3)C)CC(=O)O)cc4 |
[6-(4-CHLOROPHENYL)-2,2-DIMETHYL-7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN-5-YL]ACETIC ACID; LICOFELONE |
| 31999 |  LCG ZINC000034940873 |
0 | C11 H14 N5 O8 P | InChI=1S/C11H14N5O8P/c12- 10-14-7-4(8(18)15-10)13-3 -16(7)9-5-6(17)11(24-9,1- 22-5)2-23-25(19,20)21/h3, 5-6,9,17H,1-2H2,(H2,19,20 ,21)(H3,12,14,15,18)/t5-, 6+,9-,11-/m1/s1; FZGXOAHULCKQGE-HLJYALQUSA-N |
NC1=Nc2n(cnc2C(=O)N1)[CH]3O[C]4(CO[CH]3[ CH]4O)CO[P](O)(O)=O; NC1=Nc2n(cnc2C(=O)N 1)[C@@H]3O[C@]4(CO[C@@H]3[C@@H]4O)CO[P]( O)(O)=O; c1nc2c(n1C3C4C(C(O3)(CO4)COP(=O )(O)O)O)N=C(NC2=O)N; c1nc2c(n1[C@H]3[C@H ]4[C@@H]([C@@](O3)(CO4)COP(=O)(O)O)O)N=C (NC2=O)N; O=C2NC(=Nc1n(cnc12)C4OC3(C(O)C 4OC3)COP(=O)(O)O)N |
[(1R,3R,4R,7S)-7-HYDROXY-3-(GUANIN-9-YL)-2,5-DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN PHOSPHATE |
| 32000 |  LCH |
0 | C11 H16 N3 O8 P | InChI=1/C11H16N3O8P/c1-5- 2-14(10(16)13-8(5)12)9-6- 7(15)11(22-9,3-20-6)4-21- 23(17,18)19/h2,6-7,9,15H, 3-4H2,1H3,(H2,12,13,16)(H 2,17,18,19)/t6-,7+,9-,11- /m1/s1/f/h17-18H,12H2; RSSHBVFUGGVGMZ-MGOZBQMSDB |
O=C1N=C(N)C(=CN1C3OC2(C(O)C3OC2)COP(=O)( O)O)C; CC1=CN([C@@H]2O[C@]3(CO[C@@H]2[C@ @H]3O)CO[P](O)(O)=O)C(=O)N=C1N; CC1=CN(C (=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(C O3)COP(=O)(O)O)O; CC1=CN(C(=O)N=C1N)C2C3 C(C(O2)(CO3)COP(=O)(O)O)O; CC1=CN([CH]2O [C]3(CO[CH]2[CH]3O)CO[P](O)(O)=O)C(=O)N= C1N |
[(1R,3R,4R,7S)-7-HYDROXY-3-(5-METHYLCYTOSIN-1-YL)-2,5-DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN PHOSPHATE |