![79X 79X](https://data.pdbj.org/pdbjplus/data/cc/svg/79X.svg) | 79X | Name: | 2-hydroxy-8,9-dimethoxy-6H-isoindolo[2,1-a]indol-6-one | Formula: | C17 H13 N O4 | SMILES: | O=C3c4c(c2cc1c(ccc(O)c1)n23)cc(OC)c(OC)c4 | InChi: | InChI=1S/C17H13NO4/c1-21-15-7-11-12(8-16(15)22-2)17(20)18-13-4-3-10(19)5-9(13)6-14(11)18/h3-8,19H,1-2H3 | Definition date: | 2010-09-22 | Last modified: | 2011-06-04 | Identifier: | 2-hydroxy-8,9-dimethoxy-6H-isoindolo[2,1-a]indol-6-one |
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![MJZ MJZ](https://data.pdbj.org/pdbjplus/data/cc/svg/MJZ.svg) | MJZ | Name: | (2S,3S,4R,5R,6R)-5-(acetylamino)-4-amino-6-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydro-2H-pyran-2-carboxylic acid | Formula: | C17 H26 N4 O17 P2 | SMILES: | O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(=O)O)C(O)C(N)C3NC(=O)C)O)O | InChi: | InChI=1S/C17H26N4O17P2/c1-5(22)19-9-8(18)11(25)13(15(27)28)36-16(9)37-40(32,33)38-39(30,31)34-4-6-10(24)12(26)14(35-6)21-3-2-7(23)20-17(21)29/h2-3,6,8-14,16,24-26H,4,18H2,1H3,(H,19,22)(H,27,28)(H,30,31)(H,32,33)(H,20,23,29)/t6-,8-,9-,10-,11+,12-,13+,14-,16-/m1/s1 | Definition date: | 2010-04-29 | Last modified: | 2011-06-04 | Identifier: | (2S,3S,4R,5R,6R)-5-(acetylamino)-4-amino-6-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) |
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![MM0 MM0](https://data.pdbj.org/pdbjplus/data/cc/svg/MM0.svg) | MM0 | Name: | N,N'-(dibenzo[b,j][1,7]phenanthroline-2,10-diyldimethanediyl)dipropan-1-amine | Formula: | C28 H30 N4 | SMILES: | n3c2c1cc5cc(ccc5nc1ccc2cc4c3ccc(c4)CNCCC)CNCCC | InChi: | InChI=1S/C28H30N4/c1-3-11-29-17-19-6-9-26-22(13-19)15-21-7-10-27-24(28(21)32-26)16-23-14-20(18-30-12-4-2)5-8-25(23)31-27/h5-10,13-16,29-30H,3-4,11-12,17-18H2,1-2H3 | Definition date: | 2007-11-27 | Last modified: | 2011-06-04 | Identifier: | N,N'-(dibenzo[b,j][1,7]phenanthroline-2,10-diyldimethanediyl)dipropan-1-amine |
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![MMG MMG](https://data.pdbj.org/pdbjplus/data/cc/svg/MMG.svg) | MMG | Name: | 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid | Formula: | C20 H14 N2 O2 | SMILES: | O=C(O)c4ccc(c2c1cc(cnc1nc2)c3ccccc3)cc4 | InChi: | InChI=1S/C20H14N2O2/c23-20(24)15-8-6-14(7-9-15)18-12-22-19-17(18)10-16(11-21-19)13-4-2-1-3-5-13/h1-12H,(H,21,22)(H,23,24) | Definition date: | 2009-05-14 | Last modified: | 2011-06-04 | Identifier: | 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid |
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![7CP 7CP](https://data.pdbj.org/pdbjplus/data/cc/svg/7CP.svg) | 7CP | Name: | (4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile | Formula: | C18 H18 Cl2 N4 O | SMILES: | N#CC4c1c(n(c2c1ccc(Cl)c2Cl)C)C(=O)NC34CCN(C)CC3 | InChi: | InChI=1S/C18H18Cl2N4O/c1-23-7-5-18(6-8-23)11(9-21)13-10-3-4-12(19)14(20)15(10)24(2)16(13)17(25)22-18/h3-4,11H,5-8H2,1-2H3,(H,22,25)/t11-/m1/s1 | Definition date: | 2007-11-30 | Last modified: | 2011-06-04 | Identifier: | (4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile |
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![7CS 7CS](https://data.pdbj.org/pdbjplus/data/cc/svg/7CS.svg) | 7CS | Name: | (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE | Formula: | C16 H19 N3 O2 | SMILES: | O=C(OC2CC1N(C)C(CC1)C2)c4c3cccnc3nc4 | InChi: | InChI=1S/C16H19N3O2/c1-19-10-4-5-11(19)8-12(7-10)21-16(20)14-9-18-15-13(14)3-2-6-17-15/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,17,18)/t10-,11+,12+ | Definition date: | 2007-07-11 | Last modified: | 2011-06-04 | Identifier: | (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate |
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![MNG MNG](https://data.pdbj.org/pdbjplus/data/cc/svg/MNG.svg) | MNG | Name: | MENOGARIL | Formula: | C28 H31 N O10 | SMILES: | O=C4c3c(O)cc1c(OC2OC1(C(O)C(N(C)C)C2O)C)c3C(=O)c5cc6c(c(O)c45)C(OC)CC(O)(C)C6 | InChi: | InChI=1S/C28H31NO10/c1-27(36)8-10-6-11-16(21(32)15(10)14(9-27)37-5)22(33)17-13(30)7-12-24(18(17)20(11)31)38-26-23(34)19(29(3)4)25(35)28(12,2)39-26/h6-7,14,19,23,25-26,30,32,34-36H,8-9H2,1-5H3/t14-,19+,23+,25-,26-,27-,28-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | (2R,3S,4R,5R,6R,11R,13R)-4-(dimethylamino)-3,5,8,10,13-pentahydroxy-11-methoxy-6,13-dimethyl-3,4,5,6,11,12,13,14-octahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-9,16-dione |
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![7HI 7HI](https://data.pdbj.org/pdbjplus/data/cc/svg/7HI.svg) | 7HI | Name: | (3R,5R)-7-[3-(biphenyl-4-ylcarbamoyl)-2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4H)-yl]-3,5-dihydroxyheptanoic acid | Formula: | C31 H38 N2 O5 | SMILES: | O=C(O)CC(O)CC(O)CCn1c(c(c2c1CCCCC2)C(=O)Nc4ccc(c3ccccc3)cc4)CC | InChi: | InChI=1S/C31H38N2O5/c1-2-27-30(31(38)32-23-15-13-22(14-16-23)21-9-5-3-6-10-21)26-11-7-4-8-12-28(26)33(27)18-17-24(34)19-25(35)20-29(36)37/h3,5-6,9-10,13-16,24-25,34-35H,2,4,7-8,11-12,17-20H2,1H3,(H,32,38)(H,36,37)/t24-,25-/m1/s1 | Definition date: | 2008-02-27 | Last modified: | 2011-06-04 | Identifier: | (3R,5R)-7-[3-(biphenyl-4-ylcarbamoyl)-2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4H)-yl]-3,5-dihydroxyheptanoic acid |
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![MS8 MS8](https://data.pdbj.org/pdbjplus/data/cc/svg/MS8.svg) | MS8 | Name: | (2R,3aR,7aR)-2-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid | Formula: | C11 H17 N O6 | SMILES: | O=C(O)C(N)CC2(OC1C(OCCC1)C2)C(=O)O | InChi: | InChI=1S/C11H17NO6/c12-6(9(13)14)4-11(10(15)16)5-8-7(18-11)2-1-3-17-8/h6-8H,1-5,12H2,(H,13,14)(H,15,16)/t6-,7+,8+,11+/m0/s1 | Definition date: | 2009-01-20 | Last modified: | 2011-06-04 | Identifier: | (2R,3aR,7aR)-2-[(2S)-2-amino-2-carboxyethyl]hexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid (non-preferred name) |
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![MTS MTS](https://data.pdbj.org/pdbjplus/data/cc/svg/MTS.svg) | MTS | Name: | (4S-TRANS)-4-(METHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE | Formula: | C9 H14 N2 O4 S3 | SMILES: | O=S(=O)(c1sc2c(c1)C(NC)CC(C)S2(=O)=O)N | InChi: | InChI=1S/C9H14N2O4S3/c1-5-3-7(11-2)6-4-8(18(10,14)15)16-9(6)17(5,12)13/h4-5,7,11H,3H2,1-2H3,(H2,10,14,15)/t5-,7-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | (4S,6S)-6-methyl-4-(methylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide |
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![635 635](https://data.pdbj.org/pdbjplus/data/cc/svg/635.svg) | 635 | Name: | 1-methylethyl 8-fluoro-1,1-dimethyl-3-{[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl}-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate | Formula: | C32 H38 F N3 O5 | SMILES: | CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c3cc(F)ccc23)C(=O)c4ccc(OCCCN5CCOCC5)cc4 | InChi: | InChI=1S/C32H38FN3O5/c1-21(2)41-31(38)26-19-36(20-32(3,4)28-25-11-8-23(33)18-27(25)34-29(26)28)30(37)22-6-9-24(10-7-22)40-15-5-12-35-13-16-39-17-14-35/h6-11,18-19,21,34H,5,12-17,20H2,1-4H3 | Definition date: | 2009-12-17 | Last modified: | 2011-06-04 | Identifier: | propan-2-yl 8-fluoro-1,1-dimethyl-3-[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate |
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![CE0 CE0](https://data.pdbj.org/pdbjplus/data/cc/svg/CE0.svg) | CE0 | Name: | (2R)-2-[(1R)-2-[(2S)-2-amino-2-carboxyethoxy]-1-{[(2R)-2-[(4S)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]-2-(methoxyamino)acetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | Formula: | C17 H26 N6 O8 S2 | SMILES: | O=C(O)C(N)COC(=O)C(NC(=O)C(NOC)C1N=C(SC1)N)C2SCC(=C(N2)C(=O)O)C | InChi: | InChI=1S/C17H26N6O8S2/c1-6-4-32-13(22-9(6)15(27)28)11(16(29)31-3-7(18)14(25)26)21-12(24)10(23-30-2)8-5-33-17(19)20-8/h7-8,10-11,13,22-23H,3-5,18H2,1-2H3,(H2,19,20)(H,21,24)(H,25,26)(H,27,28)/t7-,8+,10+,11-,13+/m0/s1 | Definition date: | 2008-03-27 | Last modified: | 2011-06-04 | Identifier: | (2R)-2-[(1R)-2-[(2S)-2-amino-2-carboxyethoxy]-1-{[(2R)-2-[(4S)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]-2-(methoxyamino)acetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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![CEW CEW](https://data.pdbj.org/pdbjplus/data/cc/svg/CEW.svg) | CEW | Name: | (2R)-2-[(1R)-1-({[(2R)-2-amino-2,3-dihydro-1,3-thiazol-4-yl](methoxyimino)acetyl}amino)-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | Formula: | C14 H19 N5 O5 S2 | SMILES: | O=CC(NC(=O)C(=NOC)C1=CSC(N)N1)C2SCC(=C(N2)C(=O)O)C | InChi: | InChI=1S/C14H19N5O5S2/c1-6-4-25-12(18-9(6)13(22)23)7(3-20)16-11(21)10(19-24-2)8-5-26-14(15)17-8/h3,5,7,12,14,17-18H,4,15H2,1-2H3,(H,16,21)(H,22,23)/b19-10+/t7-,12-,14?/m1/s1 | Definition date: | 2009-06-17 | Last modified: | 2011-06-04 | Identifier: | (2R)-2-[(1R)-1-{[(2E)-2-[(2R)-2-amino-2,3-dihydro-1,3-thiazol-4-yl]-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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![CID CID](https://data.pdbj.org/pdbjplus/data/cc/svg/CID.svg) | CID | Name: | 6-(4-CHLOROPHENYL)IMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBALDEHYDE O-(3,4-DICHLOROBENZYL)OXIME | Formula: | C19 H12 Cl3 N3 O S | SMILES: | Clc1ccc(cc1Cl)CON=Cc3n4ccsc4nc3c2ccc(Cl)cc2 | InChi: | InChI=1S/C19H12Cl3N3OS/c20-14-4-2-13(3-5-14)18-17(25-7-8-27-19(25)24-18)10-23-26-11-12-1-6-15(21)16(22)9-12/h1-10H,11H2/b23-10+ | Definition date: | 2004-11-17 | Last modified: | 2011-06-04 | Identifier: | 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde O-(3,4-dichlorobenzyl)oxime |
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![CL3 CL3](https://data.pdbj.org/pdbjplus/data/cc/svg/CL3.svg) | CL3 | Name: | N-METHYL-N-[3-(6-PHENYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-3-YL)PHENYL]ACETAMIDE | Formula: | C20 H17 N5 O | SMILES: | O=C(N(c4cccc(c2nnc1ccc(nn12)c3ccccc3)c4)C)C | InChi: | InChI=1S/C20H17N5O/c1-14(26)24(2)17-10-6-9-16(13-17)20-22-21-19-12-11-18(23-25(19)20)15-7-4-3-5-8-15/h3-13H,1-2H3 | Definition date: | 2004-12-06 | Last modified: | 2011-06-04 | Identifier: | N-methyl-N-[3-(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenyl]acetamide |
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![CLB CLB](https://data.pdbj.org/pdbjplus/data/cc/svg/CLB.svg) | CLB | Name: | D-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINE | Formula: | C13 H19 B Cl N2 O6 | SMILES: | Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)OCC(C(=O)O)N | InChi: | InChI=1S/C13H19BClN2O6/c1-8(18)17-12(6-9-2-4-10(15)5-3-9)14(21,22)23-7-11(16)13(19)20/h2-5,11-12,21-22H,6-7,16H2,1H3,(H,17,18)(H,19,20)/q-1/t11-,12-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | [(1R)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](dihydroxy)(L-serinato-kappaO~3~)borate(1-) |
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![CLD CLD](https://data.pdbj.org/pdbjplus/data/cc/svg/CLD.svg) | CLD | Name: | D-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINE | Formula: | C13 H19 B Cl N2 O6 | SMILES: | Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)OCC(C(=O)O)N | InChi: | InChI=1S/C13H19BClN2O6/c1-8(18)17-12(6-9-2-4-10(15)5-3-9)14(21,22)23-7-11(16)13(19)20/h2-5,11-12,21-22H,6-7,16H2,1H3,(H,17,18)(H,19,20)/q-1/t11-,12+/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | [(1S)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](dihydroxy)(L-serinato-kappaO~3~)borate(1-) |
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![580 580](https://data.pdbj.org/pdbjplus/data/cc/svg/580.svg) | 580 | Name: | 3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOLE | Formula: | C18 H16 F N3 | SMILES: | Fc4ccc(c1c(nn2c1CCC2)c3nc(ccc3)C)cc4 | InChi: | InChI=1S/C18H16FN3/c1-12-4-2-5-15(20-12)18-17(13-7-9-14(19)10-8-13)16-6-3-11-22(16)21-18/h2,4-5,7-10H,3,6,11H2,1H3 | Definition date: | 2004-01-20 | Last modified: | 2011-06-04 | Identifier: | 3-(4-fluorophenyl)-2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole |
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![585 585](https://data.pdbj.org/pdbjplus/data/cc/svg/585.svg) | 585 | Name: | 6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one | Formula: | C22 H23 F N6 O5 | SMILES: | Fc1cnc(nc1Nc2nc3NC(=O)C(Oc3cc2)(C)C)Nc4cc(OC)c(OC)c(OC)c4 | InChi: | InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30) | Definition date: | 2009-01-09 | Last modified: | 2011-06-04 | Identifier: | 6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one |
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![598 598](https://data.pdbj.org/pdbjplus/data/cc/svg/598.svg) | 598 | Name: | 6-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}-3-(CARBOXYMETHOXY)THIENO[3,2-B][1]BENZOTHIOPHENE-2-CARBOXYLIC ACID | Formula: | C25 H24 N2 O7 S3 | SMILES: | O=S(=O)(N4CCC(Nc1cc2sc3c(OCC(=O)O)c(sc3c2cc1)C(=O)O)CC4)Cc5ccccc5 | InChi: | InChI=1S/C25H24N2O7S3/c28-20(29)13-34-21-23-22(36-24(21)25(30)31)18-7-6-17(12-19(18)35-23)26-16-8-10-27(11-9-16)37(32,33)14-15-4-2-1-3-5-15/h1-7,12,16,26H,8-11,13-14H2,(H,28,29)(H,30,31) | Definition date: | 2005-09-30 | Last modified: | 2011-06-04 | Identifier: | 6-{[1-(benzylsulfonyl)piperidin-4-yl]amino}-3-(carboxymethoxy)thieno[3,2-b][1]benzothiophene-2-carboxylic acid |
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![5BP 5BP](https://data.pdbj.org/pdbjplus/data/cc/svg/5BP.svg) | 5BP | Name: | N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine | Formula: | C13 H12 N6 | SMILES: | n1cc(c2cccnn12)c3nc(ncc3)NC4CC4 | InChi: | InChI=1S/C13H12N6/c1-2-12-10(8-16-19(12)15-6-1)11-5-7-14-13(18-11)17-9-3-4-9/h1-2,5-9H,3-4H2,(H,14,17,18) | Definition date: | 2008-09-22 | Last modified: | 2011-06-04 | Identifier: | N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine |
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![5CB 5CB](https://data.pdbj.org/pdbjplus/data/cc/svg/5CB.svg) | 5CB | Name: | N-(5-CHLORO-BENZO[B]THIOPHEN-3-YLMETHYL)-2-[6-CHLORO-OXO-3-(2-PYRIDIN-2-YL-ETHYLAMINO)-2H-PYRAZIN-1-YL]-ACETAMIDE | Formula: | C22 H23 Cl2 N5 O2 S | SMILES: | ClC1N(C(O)C(=NC1)NCCc2ncccc2)CC(=O)NCc3c4cc(Cl)ccc4sc3 | InChi: | InChI=1S/C22H23Cl2N5O2S/c23-15-4-5-18-17(9-15)14(13-32-18)10-27-20(30)12-29-19(24)11-28-21(22(29)31)26-8-6-16-3-1-2-7-25-16/h1-5,7,9,13,19,22,31H,6,8,10-12H2,(H,26,28)(H,27,30)/t19-,22-/m0/s1 | Definition date: | 2005-07-04 | Last modified: | 2011-06-04 | Identifier: | N-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-[(2R,6S)-2-chloro-6-hydroxy-5-[(2-pyridin-2-ylethyl)amino]-3,6-dihydropyrazin-1(2H)-yl]acetamide |
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![3N4 3N4](https://data.pdbj.org/pdbjplus/data/cc/svg/3N4.svg) | 3N4 | Name: | naphtho[2,1-b]thiophen-1-ylacetic acid | Formula: | C14 H10 O2 S | SMILES: | O=C(O)Cc1c3c(sc1)ccc2ccccc23 | InChi: | InChI=1S/C14H10O2S/c15-13(16)7-10-8-17-12-6-5-9-3-1-2-4-11(9)14(10)12/h1-6,8H,7H2,(H,15,16) | Definition date: | 2010-05-25 | Last modified: | 2011-06-04 | Identifier: | naphtho[2,1-b]thiophen-1-ylacetic acid |
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![3NE 3NE](https://data.pdbj.org/pdbjplus/data/cc/svg/3NE.svg) | 3NE | Name: | 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one | Formula: | C14 H7 F6 N3 O | SMILES: | FC(F)(F)c3cccc(c2nnc1NC(=O)C=C(c12)C(F)(F)F)c3 | InChi: | InChI=1S/C14H7F6N3O/c15-13(16,17)7-3-1-2-6(4-7)11-10-8(14(18,19)20)5-9(24)21-12(10)23-22-11/h1-5H,(H2,21,22,23,24) | Definition date: | 2010-06-10 | Last modified: | 2011-06-04 | Identifier: | 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one |
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![3SC 3SC](https://data.pdbj.org/pdbjplus/data/cc/svg/3SC.svg) | 3SC | Name: | 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine | Formula: | C19 H12 Cl2 N6 S | SMILES: | Clc4cccc(c1nc3c(SC#N)cnn3c(c1)NCc2ccncc2)c4Cl | InChi: | InChI=1S/C19H12Cl2N6S/c20-14-3-1-2-13(18(14)21)15-8-17(24-9-12-4-6-23-7-5-12)27-19(26-15)16(10-25-27)28-11-22/h1-8,10,24H,9H2 | Definition date: | 2007-09-20 | Last modified: | 2011-06-04 | Identifier: | 5-(2,3-dichlorophenyl)-7-[(pyridin-4-ylmethyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl thiocyanate |
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