![8N7 8N7](https://data.pdbj.org/pdbjplus/data/cc/svg/8N7.svg) | 8N7 | Name: | 6-(cyclohexylmethyl)-N-{2-[(oxan-4-yl)oxy]-4-(1H-tetrazol-5-yl)phenyl}pyridine-2-carboxamide | Formula: | C25 H30 N6 O3 | SMILES: | C(c4nc(C(Nc1c(cc(cc1)c2nnnn2)OC3CCOCC3)=O)ccc4)C5CCCCC5 | InChi: | InChI=1S/C25H30N6O3/c32-25(22-8-4-7-19(26-22)15-17-5-2-1-3-6-17)27-21-10-9-18(24-28-30-31-29-24)16-23(21)34-20-11-13-33-14-12-20/h4,7-10,16-17,20H,1-3,5-6,11-15H2,(H,27,32)(H,28,29,30,31) | Definition date: | 2017-02-21 | Last modified: | 2017-03-10 | Release date: | 2017-03-15 | Identifier: | 6-(cyclohexylmethyl)-N-{2-[(oxan-4-yl)oxy]-4-(1H-tetrazol-5-yl)phenyl}pyridine-2-carboxamide |
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![8P1 8P1](https://data.pdbj.org/pdbjplus/data/cc/svg/8P1.svg) | 8P1 | Name: | 6-azanyl-3,4-dihydro-2~{H}-naphthalen-1-one | Formula: | C10 H11 N O | SMILES: | Nc1ccc2C(=O)CCCc2c1 | InChi: | InChI=1S/C10H11NO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6H,1-3,11H2 | Definition date: | 2017-02-24 | Last modified: | 2017-03-10 | Release date: | 2017-03-15 | Identifier: | 6-azanyl-3,4-dihydro-2~{H}-naphthalen-1-one |
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![8P4 8P4](https://data.pdbj.org/pdbjplus/data/cc/svg/8P4.svg) | 8P4 | Name: | 1-(4-fluorophenyl)thiourea | Formula: | C7 H7 F N2 S | SMILES: | NC(=S)Nc1ccc(F)cc1 | InChi: | InChI=1S/C7H7FN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11) | Definition date: | 2017-02-24 | Last modified: | 2017-03-10 | Release date: | 2017-03-15 | Identifier: | 1-(4-fluorophenyl)thiourea |
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![8P7 8P7](https://data.pdbj.org/pdbjplus/data/cc/svg/8P7.svg) | 8P7 | Name: | 2-methyl-1~{H}-benzimidazole | Formula: | C8 H8 N2 | SMILES: | Cc1[nH]c2ccccc2n1 | InChi: | InChI=1S/C8H8N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3,(H,9,10) | Definition date: | 2017-02-24 | Last modified: | 2017-03-10 | Release date: | 2017-03-15 | Identifier: | 2-methyl-1~{H}-benzimidazole |
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![8PJ 8PJ](https://data.pdbj.org/pdbjplus/data/cc/svg/8PJ.svg) | 8PJ | Name: | 3-nitropyridin-2-ol | Formula: | C5 H4 N2 O3 | SMILES: | Oc1ncccc1[N+]([O-])=O | InChi: | InChI=1S/C5H4N2O3/c8-5-4(7(9)10)2-1-3-6-5/h1-3H,(H,6,8) | Definition date: | 2017-02-24 | Last modified: | 2017-03-10 | Release date: | 2017-03-15 | Identifier: | 3-nitropyridin-2-ol |
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![8RA 8RA](https://data.pdbj.org/pdbjplus/data/cc/svg/8RA.svg) | 8RA | Name: | 1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one | Formula: | C11 H15 N3 O | SMILES: | N1(C(C)=O)CCN(CC1)c2ncccc2 | InChi: | InChI=1S/C11H15N3O/c1-10(15)13-6-8-14(9-7-13)11-4-2-3-5-12-11/h2-5H,6-9H2,1H3 | Definition date: | 2017-03-03 | Last modified: | 2017-03-10 | Release date: | 2017-03-15 | Identifier: | 1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one |
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![8RM 8RM](https://data.pdbj.org/pdbjplus/data/cc/svg/8RM.svg) | 8RM | Name: | N-methylquinoline-3-carboxamide | Formula: | C11 H10 N2 O | SMILES: | N(C(=O)c2cc1ccccc1nc2)C | InChi: | InChI=1S/C11H10N2O/c1-12-11(14)9-6-8-4-2-3-5-10(8)13-7-9/h2-7H,1H3,(H,12,14) | Definition date: | 2017-03-03 | Last modified: | 2017-03-10 | Release date: | 2017-03-15 | Identifier: | N-methylquinoline-3-carboxamide |
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![8RP 8RP](https://data.pdbj.org/pdbjplus/data/cc/svg/8RP.svg) | 8RP | Name: | 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one | Formula: | C13 H17 N O3 | SMILES: | N2(C(C)=O)CCc1cc(c(cc1C2)OC)OC | InChi: | InChI=1S/C13H17NO3/c1-9(15)14-5-4-10-6-12(16-2)13(17-3)7-11(10)8-14/h6-7H,4-5,8H2,1-3H3 | Definition date: | 2017-03-03 | Last modified: | 2017-03-10 | Release date: | 2017-03-15 | Identifier: | 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one |
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![8RS 8RS](https://data.pdbj.org/pdbjplus/data/cc/svg/8RS.svg) | 8RS | Name: | 1-(4-phenylpiperazin-1-yl)ethan-1-one | Formula: | C12 H16 N2 O | SMILES: | N1(C(C)=O)CCN(CC1)c2ccccc2 | InChi: | InChI=1S/C12H16N2O/c1-11(15)13-7-9-14(10-8-13)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3 | Definition date: | 2017-03-03 | Last modified: | 2017-03-10 | Release date: | 2017-03-15 | Identifier: | 1-(4-phenylpiperazin-1-yl)ethan-1-one |
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![8RV 8RV](https://data.pdbj.org/pdbjplus/data/cc/svg/8RV.svg) | 8RV | Name: | N-(1-benzylpiperidin-4-yl)acetamide | Formula: | C14 H20 N2 O | SMILES: | N(C(C)=O)C1CCN(CC1)Cc2ccccc2 | InChi: | InChI=1S/C14H20N2O/c1-12(17)15-14-7-9-16(10-8-14)11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3,(H,15,17) | Definition date: | 2017-03-03 | Last modified: | 2017-03-10 | Release date: | 2017-03-15 | Identifier: | N-(1-benzylpiperidin-4-yl)acetamide |
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![8RY 8RY](https://data.pdbj.org/pdbjplus/data/cc/svg/8RY.svg) | 8RY | Name: | N-methylpyrimidine-2-carboxamide | Formula: | C6 H7 N3 O | SMILES: | N(C)C(c1ncccn1)=O | InChi: | InChI=1S/C6H7N3O/c1-7-6(10)5-8-3-2-4-9-5/h2-4H,1H3,(H,7,10) | Definition date: | 2017-03-03 | Last modified: | 2017-03-10 | Release date: | 2017-03-15 | Identifier: | N-methylpyrimidine-2-carboxamide |
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![8S1 8S1](https://data.pdbj.org/pdbjplus/data/cc/svg/8S1.svg) | 8S1 | Name: | 5-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile | Formula: | C10 H7 Cl N4 | SMILES: | n1cc(c(N)n1c2ccccc2Cl)C#N | InChi: | InChI=1S/C10H7ClN4/c11-8-3-1-2-4-9(8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2 | Definition date: | 2017-03-03 | Last modified: | 2017-03-10 | Release date: | 2017-03-15 | Identifier: | 5-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile |
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![8S4 8S4](https://data.pdbj.org/pdbjplus/data/cc/svg/8S4.svg) | 8S4 | Name: | 1-[(4-methoxyphenyl)methyl]-1H-tetrazole | Formula: | C9 H10 N4 O | SMILES: | n2(Cc1ccc(OC)cc1)cnnn2 | InChi: | InChI=1S/C9H10N4O/c1-14-9-4-2-8(3-5-9)6-13-7-10-11-12-13/h2-5,7H,6H2,1H3 | Definition date: | 2017-03-03 | Last modified: | 2017-03-10 | Release date: | 2017-03-15 | Identifier: | 1-[(4-methoxyphenyl)methyl]-1H-tetrazole |
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![8S7 8S7](https://data.pdbj.org/pdbjplus/data/cc/svg/8S7.svg) | 8S7 | Name: | N-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarboxamide | Formula: | C8 H10 N2 O2 | SMILES: | N(c1cc(C)no1)C(C2CC2)=O | InChi: | InChI=1S/C8H10N2O2/c1-5-4-7(12-10-5)9-8(11)6-2-3-6/h4,6H,2-3H2,1H3,(H,9,11) | Definition date: | 2017-03-03 | Last modified: | 2017-03-10 | Release date: | 2017-03-15 | Identifier: | N-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarboxamide |
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![8SA 8SA](https://data.pdbj.org/pdbjplus/data/cc/svg/8SA.svg) | 8SA | Name: | 5-methyl-N-[(thiophen-2-yl)methyl]-1,2-oxazol-3-amine | Formula: | C9 H10 N2 O S | SMILES: | N(c1noc(C)c1)Cc2cccs2 | InChi: | InChI=1S/C9H10N2OS/c1-7-5-9(11-12-7)10-6-8-3-2-4-13-8/h2-5H,6H2,1H3,(H,10,11) | Definition date: | 2017-03-03 | Last modified: | 2017-03-10 | Release date: | 2017-03-15 | Identifier: | 5-methyl-N-[(thiophen-2-yl)methyl]-1,2-oxazol-3-amine |
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![Y9B Y9B](https://data.pdbj.org/pdbjplus/data/cc/svg/Y9B.svg) | Y9B | Name: | 4-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,5-thiadiazole-3-carboxamide | Formula: | C15 H7 F4 N3 O2 S | SMILES: | Oc1nsnc1C(=O)Nc2c(F)c(F)c(c(F)c2F)c3ccccc3 | InChi: | InChI=1S/C15H7F4N3O2S/c16-8-7(6-4-2-1-3-5-6)9(17)11(19)12(10(8)18)20-14(23)13-15(24)22-25-21-13/h1-5H,(H,20,23)(H,22,24) | Definition date: | 2017-01-16 | Last modified: | 2017-03-03 | Release date: | 2017-03-08 | Identifier: | 4-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,5-thiadiazole-3-carboxamide |
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![U91 U91](https://data.pdbj.org/pdbjplus/data/cc/svg/U91.svg) | U91 | Name: | 1,5-dimethyl-3-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazole-4-carboxamide | Formula: | C18 H13 F4 N3 O2 | SMILES: | Cn1nc(O)c(c1C)C(=O)Nc2c(F)c(F)c(c(F)c2F)c3ccccc3 | InChi: | InChI=1S/C18H13F4N3O2/c1-8-10(18(27)24-25(8)2)17(26)23-16-14(21)12(19)11(13(20)15(16)22)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,23,26)(H,24,27) | Definition date: | 2017-01-16 | Last modified: | 2017-03-03 | Release date: | 2017-03-08 | Identifier: | 1,5-dimethyl-3-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazole-4-carboxamide |
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![T73 T73](https://data.pdbj.org/pdbjplus/data/cc/svg/T73.svg) | T73 | Name: | (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxybenzoate | Formula: | C17 H22 O3 | SMILES: | O=C(OC1C2(C(C(C1)CC2)(C)C)C)c3ccc(cc3)O | InChi: | InChI=1S/C17H22O3/c1-16(2)12-8-9-17(16,3)14(10-12)20-15(19)11-4-6-13(18)7-5-11/h4-7,12,14,18H,8-10H2,1-3H3/t12-,14+,17+/m0/s1 | Definition date: | 2016-02-26 | Last modified: | 2017-03-03 | Release date: | 2017-03-08 | Identifier: | (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxybenzoate |
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![HYT HYT](https://data.pdbj.org/pdbjplus/data/cc/svg/HYT.svg) | HYT | Name: | 2-methyl-5-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,3-triazole-4-carboxamide | Formula: | C16 H10 F4 N4 O2 | SMILES: | Cn1nc(O)c(n1)C(=O)Nc2c(F)c(F)c(c(F)c2F)c3ccccc3 | InChi: | InChI=1S/C16H10F4N4O2/c1-24-22-14(16(26)23-24)15(25)21-13-11(19)9(17)8(10(18)12(13)20)7-5-3-2-4-6-7/h2-6H,1H3,(H,21,25)(H,23,26) | Definition date: | 2017-01-16 | Last modified: | 2017-03-03 | Release date: | 2017-03-08 | Identifier: | 2-methyl-5-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,3-triazole-4-carboxamide |
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![7BZ 7BZ](https://data.pdbj.org/pdbjplus/data/cc/svg/7BZ.svg) | 7BZ | Name: | N,N-dimethylboranamine | Formula: | C2 H8 B N | SMILES: | BN(C)C | InChi: | InChI=1S/C2H8BN/c1-4(2)3/h3H2,1-2H3 | Definition date: | 2016-09-30 | Last modified: | 2017-03-03 | Release date: | 2017-03-08 | Identifier: | N,N-dimethylboranamine |
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![6B0 6B0](https://data.pdbj.org/pdbjplus/data/cc/svg/6B0.svg) | 6B0 | Name: | (2,3-dichlorophenyl)methanol | Formula: | C7 H6 Cl2 O | SMILES: | OCc1cccc(Cl)c1Cl | InChi: | InChI=1S/C7H6Cl2O/c8-6-3-1-2-5(4-10)7(6)9/h1-3,10H,4H2 | Definition date: | 2016-02-26 | Last modified: | 2017-03-03 | Release date: | 2017-03-08 | Identifier: | (2,3-dichlorophenyl)methanol |
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![6B9 6B9](https://data.pdbj.org/pdbjplus/data/cc/svg/6B9.svg) | 6B9 | Name: | 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[(E)-(sulfanylmethylidene)amino]benzoic acid | Formula: | C21 H13 N O5 S | SMILES: | O=C(O)c1cc(N=[C@H]S)ccc1C2=C4C(Oc3c2ccc(c3)O)=CC(=O)C=C4 | InChi: | InChI=1S/C21H13NO5S/c23-12-2-5-15-18(8-12)27-19-9-13(24)3-6-16(19)20(15)14-4-1-11(22-10-28)7-17(14)21(25)26/h1-10,23H,(H,22,28)(H,25,26) | Definition date: | 2016-03-01 | Last modified: | 2017-03-03 | Release date: | 2017-03-08 | Identifier: | 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[(E)-(sulfanylmethylidene)amino]benzoic acid |
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![6BX 6BX](https://data.pdbj.org/pdbjplus/data/cc/svg/6BX.svg) | 6BX | Name: | (2S)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid | Formula: | C7 H15 N O5 S | SMILES: | O=S(O)(CC(CN1CCOCC1)O)=O | InChi: | InChI=1S/C7H15NO5S/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8/h7,9H,1-6H2,(H,10,11,12)/t7-/m0/s1 | Definition date: | 2016-03-04 | Last modified: | 2017-03-03 | Release date: | 2017-03-08 | Identifier: | (2S)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid |
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![6BY 6BY](https://data.pdbj.org/pdbjplus/data/cc/svg/6BY.svg) | 6BY | Name: | (2R)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid | Formula: | C7 H15 N O5 S | SMILES: | OS(CC(O)CN1CCOCC1)(=O)=O | InChi: | InChI=1S/C7H15NO5S/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8/h7,9H,1-6H2,(H,10,11,12)/t7-/m1/s1 | Definition date: | 2016-03-04 | Last modified: | 2017-03-03 | Release date: | 2017-03-08 | Identifier: | (2R)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid |
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![6TN 6TN](https://data.pdbj.org/pdbjplus/data/cc/svg/6TN.svg) | 6TN | Name: | [2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-(2-ethoxy-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-6-yl)methanone | Formula: | C19 H23 N3 O4 | SMILES: | CCOc1ncc2CN(CCc2n1)C(=O)c3cc(C(C)C)c(O)cc3O | InChi: | InChI=1S/C19H23N3O4/c1-4-26-19-20-9-12-10-22(6-5-15(12)21-19)18(25)14-7-13(11(2)3)16(23)8-17(14)24/h7-9,11,23-24H,4-6,10H2,1-3H3 | Definition date: | 2016-06-22 | Last modified: | 2017-03-03 | Release date: | 2017-03-08 | Identifier: | [2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-(2-ethoxy-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-6-yl)methanone |
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