![KE2 KE2](https://data.pdbj.org/pdbjplus/data/cc/svg/KE2.svg) | KE2 | Name: | (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione | Formula: | C19 H20 N2 O4 | SMILES: | Cc1cc(C[CH]2NC(=O)[CH](Cc3ccc(O)cc3)NC2=O)ccc1O | InChi: | InChI=1S/C19H20N2O4/c1-11-8-13(4-7-17(11)23)10-16-19(25)20-15(18(24)21-16)9-12-2-5-14(22)6-3-12/h2-8,15-16,22-23H,9-10H2,1H3,(H,20,25)(H,21,24)/t15-,16-/m0/s1 | Definition date: | 2019-05-15 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione |
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![O1Q O1Q](https://data.pdbj.org/pdbjplus/data/cc/svg/O1Q.svg) | O1Q | Name: | 4-chloranyl-1-(1~{H}-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole | Formula: | C23 H16 Cl N7 | SMILES: | Cc1cccc(c1)n2nccc2c3cc(Cl)c4nnn(c5ccc6cn[nH]c6c5)c4c3 | InChi: | InChI=1S/C23H16ClN7/c1-14-3-2-4-17(9-14)30-21(7-8-26-30)16-10-19(24)23-22(11-16)31(29-28-23)18-6-5-15-13-25-27-20(15)12-18/h2-13H,1H3,(H,25,27) | Definition date: | 2020-01-21 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | 4-chloranyl-1-(1~{H}-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole |
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![KE5 KE5](https://data.pdbj.org/pdbjplus/data/cc/svg/KE5.svg) | KE5 | Name: | (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(2-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione | Formula: | C19 H20 N2 O4 | SMILES: | Cc1cc(O)ccc1C[CH]2NC(=O)[CH](Cc3ccc(O)cc3)NC2=O | InChi: | InChI=1S/C19H20N2O4/c1-11-8-15(23)7-4-13(11)10-17-19(25)20-16(18(24)21-17)9-12-2-5-14(22)6-3-12/h2-8,16-17,22-23H,9-10H2,1H3,(H,20,25)(H,21,24)/t16-,17-/m0/s1 | Definition date: | 2019-05-15 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(2-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione |
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![S4V S4V](https://data.pdbj.org/pdbjplus/data/cc/svg/S4V.svg) | S4V | Name: | ~{N}2-pyridin-2-ylbenzene-1,2-diamine | Formula: | C11 H11 N3 | SMILES: | Nc1ccccc1Nc2ccccn2 | InChi: | InChI=1S/C11H11N3/c12-9-5-1-2-6-10(9)14-11-7-3-4-8-13-11/h1-8H,12H2,(H,13,14) | Definition date: | 2020-03-04 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | ~{N}2-pyridin-2-ylbenzene-1,2-diamine |
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![O1T O1T](https://data.pdbj.org/pdbjplus/data/cc/svg/O1T.svg) | O1T | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid | Formula: | C20 H24 Cl F N4 O9 P2 | SMILES: | C[CH](Nc1cc(Cl)nc2n(ncc12)[CH]3O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O)c4ccc(F)cc4 | InChi: | InChI=1S/C20H24ClFN4O9P2/c1-10(11-2-4-12(22)5-3-11)24-14-6-16(21)25-19-13(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1 | Definition date: | 2020-01-21 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid |
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![S4Y S4Y](https://data.pdbj.org/pdbjplus/data/cc/svg/S4Y.svg) | S4Y | Name: | (2R,5S)-5-(4-chlorophenyl)oxolane-2-carbohydrazide | Formula: | C11 H13 Cl N2 O2 | SMILES: | c1c(ccc(c1)Cl)C2CCC(C(NN)=O)O2 | InChi: | InChI=1S/C11H13ClN2O2/c12-8-3-1-7(2-4-8)9-5-6-10(16-9)11(15)14-13/h1-4,9-10H,5-6,13H2,(H,14,15) | Definition date: | 2020-03-04 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | (2R,5S)-5-(4-chlorophenyl)oxolane-2-carbohydrazide |
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![KEB KEB](https://data.pdbj.org/pdbjplus/data/cc/svg/KEB.svg) | KEB | Name: | (3~{S},6~{S})-3-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione | Formula: | C20 H22 N2 O4 | SMILES: | Cc1cc(C[CH]2NC(=O)[CH](Cc3ccc(O)cc3)NC2=O)cc(C)c1O | InChi: | InChI=1S/C20H22N2O4/c1-11-7-14(8-12(2)18(11)24)10-17-20(26)21-16(19(25)22-17)9-13-3-5-15(23)6-4-13/h3-8,16-17,23-24H,9-10H2,1-2H3,(H,21,26)(H,22,25)/t16-,17-/m0/s1 | Definition date: | 2019-05-15 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | (3~{S},6~{S})-3-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione |
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![KEH KEH](https://data.pdbj.org/pdbjplus/data/cc/svg/KEH.svg) | KEH | Name: | (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-iodanyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione | Formula: | C18 H17 I N2 O4 | SMILES: | Oc1ccc(C[CH]2NC(=O)[CH](Cc3ccc(O)c(I)c3)NC2=O)cc1 | InChi: | InChI=1S/C18H17IN2O4/c19-13-7-11(3-6-16(13)23)9-15-18(25)20-14(17(24)21-15)8-10-1-4-12(22)5-2-10/h1-7,14-15,22-23H,8-9H2,(H,20,25)(H,21,24)/t14-,15-/m0/s1 | Definition date: | 2019-05-15 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-iodanyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione |
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![S5A S5A](https://data.pdbj.org/pdbjplus/data/cc/svg/S5A.svg) | S5A | Name: | 3-[4-(4-hydroxyphenyl)phenyl]propanoic acid | Formula: | C15 H14 O3 | SMILES: | OC(=O)CCc1ccc(cc1)c2ccc(O)cc2 | InChi: | InChI=1S/C15H14O3/c16-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(17)18/h1-2,4-9,16H,3,10H2,(H,17,18) | Definition date: | 2020-03-04 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | 3-[4-(4-hydroxyphenyl)phenyl]propanoic acid |
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![S5G S5G](https://data.pdbj.org/pdbjplus/data/cc/svg/S5G.svg) | S5G | Name: | (5~{R})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione | Formula: | C6 H12 N2 O S2 | SMILES: | CN1C(=S)S[CH](NO)C1(C)C | InChi: | InChI=1S/C6H12N2OS2/c1-6(2)4(7-9)11-5(10)8(6)3/h4,7,9H,1-3H3/t4-/m1/s1 | Definition date: | 2020-03-04 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | (5~{R})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione |
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![KEQ KEQ](https://data.pdbj.org/pdbjplus/data/cc/svg/KEQ.svg) | KEQ | Name: | (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione | Formula: | C19 H20 N2 O4 | SMILES: | COc1ccc(C[CH]2NC(=O)[CH](Cc3ccc(O)cc3)NC2=O)cc1 | InChi: | InChI=1S/C19H20N2O4/c1-25-15-8-4-13(5-9-15)11-17-19(24)20-16(18(23)21-17)10-12-2-6-14(22)7-3-12/h2-9,16-17,22H,10-11H2,1H3,(H,20,24)(H,21,23)/t16-,17-/m0/s1 | Definition date: | 2019-05-15 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione |
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![KEW KEW](https://data.pdbj.org/pdbjplus/data/cc/svg/KEW.svg) | KEW | Name: | (3~{S},6~{S})-3-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione | Formula: | C18 H17 Cl N2 O4 | SMILES: | Oc1ccc(C[CH]2NC(=O)[CH](Cc3ccc(O)c(Cl)c3)NC2=O)cc1 | InChi: | InChI=1S/C18H17ClN2O4/c19-13-7-11(3-6-16(13)23)9-15-18(25)20-14(17(24)21-15)8-10-1-4-12(22)5-2-10/h1-7,14-15,22-23H,8-9H2,(H,20,25)(H,21,24)/t14-,15-/m0/s1 | Definition date: | 2019-05-15 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | (3~{S},6~{S})-3-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione |
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![KEZ KEZ](https://data.pdbj.org/pdbjplus/data/cc/svg/KEZ.svg) | KEZ | Name: | 3-acetylene dicyclotyrosine | Formula: | C20 H18 N2 O4 | SMILES: | Oc1ccc(C[CH]2NC(=O)[CH](Cc3ccc(O)c(c3)C#C)NC2=O)cc1 | InChi: | InChI=1S/C20H18N2O4/c1-2-14-9-13(5-8-18(14)24)11-17-20(26)21-16(19(25)22-17)10-12-3-6-15(23)7-4-12/h1,3-9,16-17,23-24H,10-11H2,(H,21,26)(H,22,25)/t16-,17-/m0/s1 | Definition date: | 2019-05-15 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | (3~{S},6~{S})-3-[(3-ethynyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione |
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![S64 S64](https://data.pdbj.org/pdbjplus/data/cc/svg/S64.svg) | S64 | Name: | (3~{a}~{R},7~{a}~{R})-4-(4-methoxyphenyl)-2,3,3~{a},6,7,7~{a}-hexahydrothieno[3,2-c]pyridine | Formula: | C14 H17 N O S | SMILES: | COc1ccc(cc1)C2=NCC[CH]3SCC[CH]23 | InChi: | InChI=1S/C14H17NOS/c1-16-11-4-2-10(3-5-11)14-12-7-9-17-13(12)6-8-15-14/h2-5,12-13H,6-9H2,1H3/t12-,13+/m0/s1 | Definition date: | 2020-03-04 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | (3~{a}~{R},7~{a}~{R})-4-(4-methoxyphenyl)-2,3,3~{a},6,7,7~{a}-hexahydrothieno[3,2-c]pyridine |
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![S7A S7A](https://data.pdbj.org/pdbjplus/data/cc/svg/S7A.svg) | S7A | Name: | 3,3,3-tris(fluoranyl)-1-piperazin-1-yl-propan-1-one | Formula: | C7 H11 F3 N2 O | SMILES: | FC(F)(F)CC(=O)N1CCNCC1 | InChi: | InChI=1S/C7H11F3N2O/c8-7(9,10)5-6(13)12-3-1-11-2-4-12/h11H,1-5H2 | Definition date: | 2020-03-05 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | 3,3,3-tris(fluoranyl)-1-piperazin-1-yl-propan-1-one |
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![S7G S7G](https://data.pdbj.org/pdbjplus/data/cc/svg/S7G.svg) | S7G | Name: | ~{N}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide | Formula: | C11 H14 N2 O | SMILES: | CC(=O)N[CH]1CNc2ccccc2C1 | InChi: | InChI=1S/C11H14N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)/t10-/m1/s1 | Definition date: | 2020-03-05 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | ~{N}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide |
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![S7J S7J](https://data.pdbj.org/pdbjplus/data/cc/svg/S7J.svg) | S7J | Name: | 2-(trifluoromethyl)pyrimidine-5-carboxamide | Formula: | C6 H4 F3 N3 O | SMILES: | NC(=O)c1cnc(nc1)C(F)(F)F | InChi: | InChI=1S/C6H4F3N3O/c7-6(8,9)5-11-1-3(2-12-5)4(10)13/h1-2H,(H2,10,13) | Definition date: | 2020-03-05 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | 2-(trifluoromethyl)pyrimidine-5-carboxamide |
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![S7S S7S](https://data.pdbj.org/pdbjplus/data/cc/svg/S7S.svg) | S7S | Name: | ~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide | Formula: | C7 H13 N5 O | SMILES: | CCCC(=O)Nc1nnn(CC)n1 | InChi: | InChI=1S/C7H13N5O/c1-3-5-6(13)8-7-9-11-12(4-2)10-7/h3-5H2,1-2H3,(H,8,10,13) | Definition date: | 2020-03-05 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | ~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide |
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![NQE NQE](https://data.pdbj.org/pdbjplus/data/cc/svg/NQE.svg) | NQE | Name: | 2-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile | Formula: | C15 H13 N5 O | SMILES: | CN1C(=O)N(C)c2cc(Nc3ncccc3C#N)ccc12 | InChi: | InChI=1S/C15H13N5O/c1-19-12-6-5-11(8-13(12)20(2)15(19)21)18-14-10(9-16)4-3-7-17-14/h3-8H,1-2H3,(H,17,18) | Definition date: | 2019-12-11 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | 2-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile |
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![NQH NQH](https://data.pdbj.org/pdbjplus/data/cc/svg/NQH.svg) | NQH | Name: | 2-chloranyl-4-(cyclopropylmethylamino)pyridine-3-carbonitrile | Formula: | C10 H10 Cl N3 | SMILES: | Clc1nccc(NCC2CC2)c1C#N | InChi: | InChI=1S/C10H10ClN3/c11-10-8(5-12)9(3-4-13-10)14-6-7-1-2-7/h3-4,7H,1-2,6H2,(H,13,14) | Definition date: | 2019-12-11 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | 2-chloranyl-4-(cyclopropylmethylamino)pyridine-3-carbonitrile |
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![S8G S8G](https://data.pdbj.org/pdbjplus/data/cc/svg/S8G.svg) | S8G | Name: | 1-[(3~{R})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one | Formula: | C9 H15 F3 N2 O | SMILES: | N[CH]1CCCN(C1)C(=O)CCC(F)(F)F | InChi: | InChI=1S/C9H15F3N2O/c10-9(11,12)4-3-8(15)14-5-1-2-7(13)6-14/h7H,1-6,13H2/t7-/m1/s1 | Definition date: | 2020-03-05 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | 1-[(3~{R})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one |
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![S8J S8J](https://data.pdbj.org/pdbjplus/data/cc/svg/S8J.svg) | S8J | Name: | 3-ethoxy-~{N}-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide | Formula: | C11 H13 N5 O2 | SMILES: | CCOc1cccc(c1)C(=O)Nc2nnn(C)n2 | InChi: | InChI=1S/C11H13N5O2/c1-3-18-9-6-4-5-8(7-9)10(17)12-11-13-15-16(2)14-11/h4-7H,3H2,1-2H3,(H,12,14,17) | Definition date: | 2020-03-05 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | 3-ethoxy-~{N}-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide |
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![NQK NQK](https://data.pdbj.org/pdbjplus/data/cc/svg/NQK.svg) | NQK | Name: | 2-chloranyl-4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile | Formula: | C15 H12 Cl N5 O | SMILES: | CN1C(=O)N(C)c2cc(Nc3ccnc(Cl)c3C#N)ccc12 | InChi: | InChI=1S/C15H12ClN5O/c1-20-12-4-3-9(7-13(12)21(2)15(20)22)19-11-5-6-18-14(16)10(11)8-17/h3-7H,1-2H3,(H,18,19) | Definition date: | 2019-12-11 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | 2-chloranyl-4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile |
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![NQN NQN](https://data.pdbj.org/pdbjplus/data/cc/svg/NQN.svg) | NQN | Name: | 2-chloranyl-4-[[1-methyl-3-[(3~{R})-3-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile | Formula: | C18 H18 Cl N5 O2 | SMILES: | C[CH](O)CCN1C(=O)N(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12 | InChi: | InChI=1S/C18H18ClN5O2/c1-11(25)6-8-24-16-9-12(3-4-15(16)23(2)18(24)26)22-14-5-7-21-17(19)13(14)10-20/h3-5,7,9,11,25H,6,8H2,1-2H3,(H,21,22)/t11-/m1/s1 | Definition date: | 2019-12-11 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | 2-chloranyl-4-[[1-methyl-3-[(3~{R})-3-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile |
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![NQQ NQQ](https://data.pdbj.org/pdbjplus/data/cc/svg/NQQ.svg) | NQQ | Name: | 2-chloranyl-4-[[1-methyl-3-(3-methyl-3-oxidanyl-butyl)-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile | Formula: | C19 H20 Cl N5 O2 | SMILES: | CN1C(=O)N(CCC(C)(C)O)c2cc(Nc3ccnc(Cl)c3C#N)ccc12 | InChi: | InChI=1S/C19H20ClN5O2/c1-19(2,27)7-9-25-16-10-12(4-5-15(16)24(3)18(25)26)23-14-6-8-22-17(20)13(14)11-21/h4-6,8,10,27H,7,9H2,1-3H3,(H,22,23) | Definition date: | 2019-12-11 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | 2-chloranyl-4-[[1-methyl-3-(3-methyl-3-oxidanyl-butyl)-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile |
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