![R74 R74](https://data.pdbj.org/pdbjplus/data/cc/svg/R74.svg) | R74 | Name: | N~2~-[(2H-1,3-benzodioxol-5-yl)acetyl]-N-[(pyridin-4-yl)methyl]-L-cysteinamide | Formula: | C18 H19 N3 O4 S | SMILES: | O=C(C(CS)NC(Cc2ccc1OCOc1c2)=O)NCc3ccncc3 | InChi: | InChI=1S/C18H19N3O4S/c22-17(8-13-1-2-15-16(7-13)25-11-24-15)21-14(10-26)18(23)20-9-12-3-5-19-6-4-12/h1-7,14,26H,8-11H2,(H,20,23)(H,21,22)/t14-/m0/s1 | Definition date: | 2020-02-04 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | N~2~-[(2H-1,3-benzodioxol-5-yl)acetyl]-N-[(pyridin-4-yl)methyl]-L-cysteinamide |
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![R7D R7D](https://data.pdbj.org/pdbjplus/data/cc/svg/R7D.svg) | R7D | Name: | N~2~-{(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl}-N-[(pyridin-2-yl)methyl]-L-cysteinamide | Formula: | C18 H18 F3 N3 O3 S | SMILES: | SCC(C(NCc1ncccc1)=O)NC(C(c2ccc(cc2)C(F)(F)F)O)=O | InChi: | InChI=1S/C18H18F3N3O3S/c19-18(20,21)12-6-4-11(5-7-12)15(25)17(27)24-14(10-28)16(26)23-9-13-3-1-2-8-22-13/h1-8,14-15,25,28H,9-10H2,(H,23,26)(H,24,27)/t14-,15+/m0/s1 | Definition date: | 2020-02-04 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | N~2~-{(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl}-N-[(pyridin-2-yl)methyl]-L-cysteinamide |
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![Q64 Q64](https://data.pdbj.org/pdbjplus/data/cc/svg/Q64.svg) | Q64 | Name: | (2Z)-2-benzylidene-3-oxo-N-(4-sulfamoylphenyl)butanamide | Formula: | C17 H16 N2 O4 S | SMILES: | c1ccc(cc1)[C@H]=C(C(=O)Nc2ccc(cc2)S(N)(=O)=O)C(C)=O | InChi: | InChI=1S/C17H16N2O4S/c1-12(20)16(11-13-5-3-2-4-6-13)17(21)19-14-7-9-15(10-8-14)24(18,22)23/h2-11H,1H3,(H,19,21)(H2,18,22,23)/b16-11- | Definition date: | 2019-09-24 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | (2Z)-2-benzylidene-3-oxo-N-(4-sulfamoylphenyl)butanamide |
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![Q6A Q6A](https://data.pdbj.org/pdbjplus/data/cc/svg/Q6A.svg) | Q6A | Name: | (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide | Formula: | C18 H18 N2 O5 S | SMILES: | c1cc(ccc1[C@H]=C(C(=O)Nc2ccc(cc2)S(N)(=O)=O)C(C)=O)OC | InChi: | InChI=1S/C18H18N2O5S/c1-12(21)17(11-13-3-7-15(25-2)8-4-13)18(22)20-14-5-9-16(10-6-14)26(19,23)24/h3-11H,1-2H3,(H,20,22)(H2,19,23,24)/b17-11- | Definition date: | 2019-09-24 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide |
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![Q6D Q6D](https://data.pdbj.org/pdbjplus/data/cc/svg/Q6D.svg) | Q6D | Name: | (2Z)-3-oxo-N-(4-sulfamoylphenyl)-2-[(thiophen-2-yl)methylidene]butanamide | Formula: | C15 H14 N2 O4 S2 | SMILES: | c1csc(c1)[C@H]=C(C(=O)Nc2ccc(cc2)S(N)(=O)=O)C(C)=O | InChi: | InChI=1S/C15H14N2O4S2/c1-10(18)14(9-12-3-2-8-22-12)15(19)17-11-4-6-13(7-5-11)23(16,20)21/h2-9H,1H3,(H,17,19)(H2,16,20,21)/b14-9- | Definition date: | 2019-09-24 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | (2Z)-3-oxo-N-(4-sulfamoylphenyl)-2-[(thiophen-2-yl)methylidene]butanamide |
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![QCW QCW](https://data.pdbj.org/pdbjplus/data/cc/svg/QCW.svg) | QCW | Name: | ~{N}-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3-carboxamide | Formula: | C14 H14 N2 O2 | SMILES: | CNC(=O)C1=CC=CN(Cc2ccccc2)C1=O | InChi: | InChI=1S/C14H14N2O2/c1-15-13(17)12-8-5-9-16(14(12)18)10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,15,17) | Definition date: | 2020-06-08 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | ~{N}-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3-carboxamide |
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![QCZ QCZ](https://data.pdbj.org/pdbjplus/data/cc/svg/QCZ.svg) | QCZ | Name: | ~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3,5-dicarboxamide | Formula: | C18 H19 N3 O3 | SMILES: | CNC(=O)C1=CC(=CN(Cc2ccccc2)C1=O)C(=O)NC3CC3 | InChi: | InChI=1S/C18H19N3O3/c1-19-17(23)15-9-13(16(22)20-14-7-8-14)11-21(18(15)24)10-12-5-3-2-4-6-12/h2-6,9,11,14H,7-8,10H2,1H3,(H,19,23)(H,20,22) | Definition date: | 2020-06-08 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | ~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3,5-dicarboxamide |
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![QD5 QD5](https://data.pdbj.org/pdbjplus/data/cc/svg/QD5.svg) | QD5 | Name: | ~{N}5-cyclopropyl-1-(1~{H}-indol-4-ylmethyl)-~{N}3-methyl-2-oxidanylidene-pyridine-3,5-dicarboxamide | Formula: | C20 H20 N4 O3 | SMILES: | CNC(=O)C1=CC(=CN(Cc2cccc3[nH]ccc23)C1=O)C(=O)NC4CC4 | InChi: | InChI=1S/C20H20N4O3/c1-21-19(26)16-9-13(18(25)23-14-5-6-14)11-24(20(16)27)10-12-3-2-4-17-15(12)7-8-22-17/h2-4,7-9,11,14,22H,5-6,10H2,1H3,(H,21,26)(H,23,25) | Definition date: | 2020-06-08 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | ~{N}5-cyclopropyl-1-(1~{H}-indol-4-ylmethyl)-~{N}3-methyl-2-oxidanylidene-pyridine-3,5-dicarboxamide |
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![LVB LVB](https://data.pdbj.org/pdbjplus/data/cc/svg/LVB.svg) | LVB | Name: | 3-deoxytolcapone | Formula: | C14 H11 N O4 | SMILES: | Cc1ccc(cc1)C(=O)c2ccc(O)c(c2)[N+]([O-])=O | InChi: | InChI=1S/C14H11NO4/c1-9-2-4-10(5-3-9)14(17)11-6-7-13(16)12(8-11)15(18)19/h2-8,16H,1H3 | Definition date: | 2019-09-14 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | (4-methylphenyl)-(3-nitro-4-oxidanyl-phenyl)methanone |
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![LVE LVE](https://data.pdbj.org/pdbjplus/data/cc/svg/LVE.svg) | LVE | Name: | 3-O-methyltolcapone | Formula: | C15 H13 N O5 | SMILES: | COc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2ccc(C)cc2 | InChi: | InChI=1S/C15H13NO5/c1-9-3-5-10(6-4-9)14(17)11-7-12(16(19)20)15(18)13(8-11)21-2/h3-8,18H,1-2H3 | Definition date: | 2019-09-14 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | (3-methoxy-5-nitro-4-oxidanyl-phenyl)-(4-methylphenyl)methanone |
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![LWN LWN](https://data.pdbj.org/pdbjplus/data/cc/svg/LWN.svg) | LWN | Name: | methyl 2-[[6-[[3,4-bis(fluoranyl)phenyl]amino]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanoate | Formula: | C15 H14 F2 N6 O2 | SMILES: | COC(=O)CNc1nc(Nc2ccc(F)c(F)c2)nc3n(C)ncc13 | InChi: | InChI=1S/C15H14F2N6O2/c1-23-14-9(6-19-23)13(18-7-12(24)25-2)21-15(22-14)20-8-3-4-10(16)11(17)5-8/h3-6H,7H2,1-2H3,(H2,18,20,21,22) | Definition date: | 2019-09-24 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | methyl 2-[[6-[[3,4-bis(fluoranyl)phenyl]amino]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanoate |
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![LWZ LWZ](https://data.pdbj.org/pdbjplus/data/cc/svg/LWZ.svg) | LWZ | Name: | 3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide | Formula: | C6 H10 N4 O S2 | SMILES: | SC(S)CC(=O)NCc1c[nH]nn1 | InChi: | InChI=1S/C6H10N4OS2/c11-5(1-6(12)13)7-2-4-3-8-10-9-4/h3,6,12-13H,1-2H2,(H,7,11)(H,8,9,10) | Definition date: | 2019-09-25 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | 3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide |
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![B7F B7F](https://data.pdbj.org/pdbjplus/data/cc/svg/B7F.svg) | B7F | Name: | 2,2,3,3,4,4,4-heptafluorobutan-1-ol | Formula: | C4 H3 F7 O | SMILES: | FC(F)(F)C(F)(F)C(F)(F)CO | InChi: | InChI=1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2 | Definition date: | 2020-07-20 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | 2,2,3,3,4,4,4-heptafluorobutan-1-ol |
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![TU7 TU7](https://data.pdbj.org/pdbjplus/data/cc/svg/TU7.svg) | TU7 | Name: | (2,4-dichlorophenyl)[(2S)-2-phenylmorpholin-4-yl]methanone | Formula: | C17 H15 Cl2 N O2 | SMILES: | C(c1ccc(cc1Cl)Cl)(N3CC(c2ccccc2)OCC3)=O | InChi: | InChI=1S/C17H15Cl2NO2/c18-13-6-7-14(15(19)10-13)17(21)20-8-9-22-16(11-20)12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2/t16-/m1/s1 | Definition date: | 2020-03-31 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | (2,4-dichlorophenyl)[(2S)-2-phenylmorpholin-4-yl]methanone |
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![TKG TKG](https://data.pdbj.org/pdbjplus/data/cc/svg/TKG.svg) | TKG | Name: | 1-[[6-(1-$l^{1}-oxidanylethyl)-4-$l^{3}-oxidanylidene-2,3,6,8~{a}-tetrahydropteridin-2-yl]-$l^{2}-azanyl]ethanone | Formula: | C10 H9 N5 O3 | SMILES: | C(C)(NC1=Nc2c(C(=O)N1)nc(cn2)C(C)=O)=O | InChi: | InChI=1S/C10H9N5O3/c1-4(16)6-3-11-8-7(13-6)9(18)15-10(14-8)12-5(2)17/h3H,1-2H3,(H2,11,12,14,15,17,18) | Definition date: | 2020-03-24 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | N-(6-acetyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide |
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![U87 U87](https://data.pdbj.org/pdbjplus/data/cc/svg/U87.svg) | U87 | Name: | 5'-([(3S)-3-amino-3-carboxypropyl]{3-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]propyl}amino)-5'-deoxyadenosine | Formula: | C26 H34 Cl2 N8 O5 | SMILES: | C(=O)(O)C(N)CCN(CCCC1c2c(CNC1)c(c(cc2)Cl)Cl)CC3C(C(C(O3)n5c4ncnc(c4nc5)N)O)O | InChi: | InChI=1S/C26H34Cl2N8O5/c27-16-4-3-14-13(8-31-9-15(14)19(16)28)2-1-6-35(7-5-17(29)26(39)40)10-18-21(37)22(38)25(41-18)36-12-34-20-23(30)32-11-33-24(20)36/h3-4,11-13,17-18,21-22,25,31,37-38H,1-2,5-10,29H2,(H,39,40)(H2,30,32,33)/t13-,17-,18+,21+,22+,25+/m0/s1 | Definition date: | 2020-05-01 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | 5'-([(3S)-3-amino-3-carboxypropyl]{3-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]propyl}amino)-5'-deoxyadenosine |
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![UT4 UT4](https://data.pdbj.org/pdbjplus/data/cc/svg/UT4.svg) | UT4 | Name: | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(piperazin-1-yl)-7H-thieno[3,2-b]pyran-7-one | Formula: | C19 H18 N2 O4 S | SMILES: | C2(C=C(N1CCNCC1)Oc3c2scc3c5ccc4OCCOc4c5)=O | InChi: | InChI=1S/C19H18N2O4S/c22-14-10-17(21-5-3-20-4-6-21)25-18-13(11-26-19(14)18)12-1-2-15-16(9-12)24-8-7-23-15/h1-2,9-11,20H,3-8H2 | Definition date: | 2020-06-01 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(piperazin-1-yl)-7H-thieno[3,2-b]pyran-7-one |
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![V7A V7A](https://data.pdbj.org/pdbjplus/data/cc/svg/V7A.svg) | V7A | Name: | Sarecycline | Formula: | C24 H29 N3 O8 | SMILES: | c1(ccc(O)c2c1CC3C(C2=O)=C(O)C4(C(C3)C(C(=C(C4=O)C(N)=O)O)N(C)C)O)CN(C)OC | InChi: | InChI=1S/C24H29N3O8/c1-26(2)18-13-8-11-7-12-10(9-27(3)35-4)5-6-14(28)16(12)19(29)15(11)21(31)24(13,34)22(32)17(20(18)30)23(25)33/h5-6,11,13,18,28,30-31,34H,7-9H2,1-4H3,(H2,25,33)/t11-,13-,18-,24-/m0/s1 | Definition date: | 2020-07-10 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | (4S,4aS,5aR,12aS)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-7-{[methoxy(methyl)amino]methyl}-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide |
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![VBY VBY](https://data.pdbj.org/pdbjplus/data/cc/svg/VBY.svg) | VBY | Name: | 5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide | Formula: | C23 H22 N2 O2 | SMILES: | C(c1c(ccc(c1)NC(C=C)=O)C)(NC(c3cccc2c3cccc2)C)=O | InChi: | InChI=1S/C23H22N2O2/c1-4-22(26)25-18-13-12-15(2)21(14-18)23(27)24-16(3)19-11-7-9-17-8-5-6-10-20(17)19/h4-14,16H,1H2,2-3H3,(H,24,27)(H,25,26)/t16-/m1/s1 | Definition date: | 2020-07-24 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | 5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide |
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![DW3 DW3](https://data.pdbj.org/pdbjplus/data/cc/svg/DW3.svg) | DW3 | Name: | 2-oxidanylethanal | Formula: | C2 H4 O2 | SMILES: | OCC=O | InChi: | InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2 | Definition date: | 2019-09-12 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | 2-oxidanylethanal |
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![P7S P7S](https://data.pdbj.org/pdbjplus/data/cc/svg/P7S.svg) | P7S | Name: | N-(4-amino-3-chlorobenzene-1-carbonyl)-3-methyl-L-valyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-prolinamide | Formula: | C22 H29 Cl N4 O6 | SMILES: | C2CN(C(C(C(C)(C)C)NC(c1ccc(c(c1)Cl)N)=O)=O)C(C(NC(CC(=O)O)C=O)=O)C2 | InChi: | InChI=1S/C22H29ClN4O6/c1-22(2,3)18(26-19(31)12-6-7-15(24)14(23)9-12)21(33)27-8-4-5-16(27)20(32)25-13(11-28)10-17(29)30/h6-7,9,11,13,16,18H,4-5,8,10,24H2,1-3H3,(H,25,32)(H,26,31)(H,29,30)/t13-,16-,18+/m0/s1 | Definition date: | 2019-08-06 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | N-(4-amino-3-chlorobenzene-1-carbonyl)-3-methyl-L-valyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-prolinamide |
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![EOU EOU](https://data.pdbj.org/pdbjplus/data/cc/svg/EOU.svg) | EOU | Name: | dimethyl (~{E})-but-2-enedioate | Formula: | C6 H8 O4 | SMILES: | COC(=O)C=CC(=O)OC | InChi: | InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+ | Definition date: | 2020-01-17 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | dimethyl (~{E})-but-2-enedioate |
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![X47 X47](https://data.pdbj.org/pdbjplus/data/cc/svg/X47.svg) | X47 | Name: | N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide | Formula: | C26 H31 N5 O2 | SMILES: | C(=O)(c1ncnc1)N(c2ccc(C(C)(C)C)cc2)C(c3cccnc3)C(NC4CCCC4)=O | InChi: | InChI=1S/C26H31N5O2/c1-26(2,3)19-10-12-21(13-11-19)31(25(33)22-16-28-17-29-22)23(18-7-6-14-27-15-18)24(32)30-20-8-4-5-9-20/h6-7,10-17,20,23H,4-5,8-9H2,1-3H3,(H,28,29)(H,30,32)/t23-/m1/s1 | Definition date: | 2020-03-31 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide |
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![NU2 NU2](https://data.pdbj.org/pdbjplus/data/cc/svg/NU2.svg) | NU2 | Name: | (3~{R},6~{R})-6-[(2~{S})-butan-2-yl]-3-(2,3-dihydro-1~{H}-inden-2-yl)-1-[(1~{R})-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxidanylidene-ethyl]piperazine-2,5-dione | Formula: | C27 H34 N4 O5 | SMILES: | CC[CH](C)[CH]1N([CH](C(=O)N2CCOCC2)c3coc(C)n3)C(=O)[CH](NC1=O)C4Cc5ccccc5C4 | InChi: | InChI=1S/C27H34N4O5/c1-4-16(2)23-25(32)29-22(20-13-18-7-5-6-8-19(18)14-20)26(33)31(23)24(21-15-36-17(3)28-21)27(34)30-9-11-35-12-10-30/h5-8,15-16,20,22-24H,4,9-14H2,1-3H3,(H,29,32)/t16-,22+,23+,24+/m0/s1 | Definition date: | 2019-12-13 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | (3~{R},6~{R})-6-[(2~{S})-butan-2-yl]-3-(2,3-dihydro-1~{H}-inden-2-yl)-1-[(1~{R})-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxidanylidene-ethyl]piperazine-2,5-dione |
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![Y95 Y95](https://data.pdbj.org/pdbjplus/data/cc/svg/Y95.svg) | Y95 | Name: | 5-[(carbamoylcarbamoyl)amino]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide | Formula: | C22 H22 N4 O3 | SMILES: | O=C(NC(Nc1ccc(c(c1)C(NC(C)c2cccc3c2cccc3)=O)C)=O)N | InChi: | InChI=1S/C22H22N4O3/c1-13-10-11-16(25-22(29)26-21(23)28)12-19(13)20(27)24-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,1-2H3,(H,24,27)(H4,23,25,26,28,29)/t14-/m1/s1 | Definition date: | 2020-07-24 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | 5-[(carbamoylcarbamoyl)amino]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide |
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