![K1Y K1Y](https://data.pdbj.org/pdbjplus/data/cc/svg/K1Y.svg) | K1Y | Name: | methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate | Formula: | C12 H12 N2 O2 S | SMILES: | n1c(C)sc(c1c2ccccc2)NC(OC)=O | InChi: | InChI=1S/C12H12N2O2S/c1-8-13-10(9-6-4-3-5-7-9)11(17-8)14-12(15)16-2/h3-7H,1-2H3,(H,14,15) | Definition date: | 2018-10-25 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate |
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![K24 K24](https://data.pdbj.org/pdbjplus/data/cc/svg/K24.svg) | K24 | Name: | N,2-dimethyl-1,3-thiazole-5-carboxamide | Formula: | C6 H8 N2 O S | SMILES: | n1cc(C(NC)=O)sc1C | InChi: | InChI=1S/C6H8N2OS/c1-4-8-3-5(10-4)6(9)7-2/h3H,1-2H3,(H,7,9) | Definition date: | 2018-10-25 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | N,2-dimethyl-1,3-thiazole-5-carboxamide |
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![K2G K2G](https://data.pdbj.org/pdbjplus/data/cc/svg/K2G.svg) | K2G | Name: | 5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide | Formula: | C8 H10 Cl N3 O | SMILES: | n1c(c(cnc1C(C)C)Cl)C(=O)N | InChi: | InChI=1S/C8H10ClN3O/c1-4(2)8-11-3-5(9)6(12-8)7(10)13/h3-4H,1-2H3,(H2,10,13) | Definition date: | 2018-10-25 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | 5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide |
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![K2M K2M](https://data.pdbj.org/pdbjplus/data/cc/svg/K2M.svg) | K2M | Name: | 4-(furan-2-carbonyl)piperazine-1-carboxamide | Formula: | C10 H13 N3 O3 | SMILES: | N2(CCN(C(=O)c1occc1)CC2)C(N)=O | InChi: | InChI=1S/C10H13N3O3/c11-10(15)13-5-3-12(4-6-13)9(14)8-2-1-7-16-8/h1-2,7H,3-6H2,(H2,11,15) | Definition date: | 2018-10-25 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | 4-(furan-2-carbonyl)piperazine-1-carboxamide |
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![K2P K2P](https://data.pdbj.org/pdbjplus/data/cc/svg/K2P.svg) | K2P | Name: | 2-(trifluoromethoxy)benzoic acid | Formula: | C8 H5 F3 O3 | SMILES: | c1ccc(c(c1)OC(F)(F)F)C(O)=O | InChi: | InChI=1S/C8H5F3O3/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13) | Definition date: | 2018-10-25 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | 2-(trifluoromethoxy)benzoic acid |
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![K2S K2S](https://data.pdbj.org/pdbjplus/data/cc/svg/K2S.svg) | K2S | Name: | N,N,3,5-tetramethyl-1H-pyrazole-4-sulfonamide | Formula: | C7 H13 N3 O2 S | SMILES: | n1nc(C)c(c1C)S(N(C)C)(=O)=O | InChi: | InChI=1S/C7H13N3O2S/c1-5-7(6(2)9-8-5)13(11,12)10(3)4/h1-4H3,(H,8,9) | Definition date: | 2018-10-25 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | N,N,3,5-tetramethyl-1H-pyrazole-4-sulfonamide |
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![K2V K2V](https://data.pdbj.org/pdbjplus/data/cc/svg/K2V.svg) | K2V | Name: | (1R)-1-[4-(pyrimidin-5-yl)phenyl]ethan-1-amine | Formula: | C12 H13 N3 | SMILES: | n2cc(c1ccc(cc1)C(N)C)cnc2 | InChi: | InChI=1S/C12H13N3/c1-9(13)10-2-4-11(5-3-10)12-6-14-8-15-7-12/h2-9H,13H2,1H3/t9-/m1/s1 | Definition date: | 2018-10-25 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | (1R)-1-[4-(pyrimidin-5-yl)phenyl]ethan-1-amine |
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![K31 K31](https://data.pdbj.org/pdbjplus/data/cc/svg/K31.svg) | K31 | Name: | 2-(3,5-dimethyl-1H-pyrazol-4-yl)aniline | Formula: | C11 H13 N3 | SMILES: | n2nc(c(c1ccccc1N)c2C)C | InChi: | InChI=1S/C11H13N3/c1-7-11(8(2)14-13-7)9-5-3-4-6-10(9)12/h3-6H,12H2,1-2H3,(H,13,14) | Definition date: | 2018-10-25 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | 2-(3,5-dimethyl-1H-pyrazol-4-yl)aniline |
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![K3A K3A](https://data.pdbj.org/pdbjplus/data/cc/svg/K3A.svg) | K3A | Name: | N-(5-methyl-1H-pyrazol-3-yl)acetamide | Formula: | C6 H9 N3 O | SMILES: | n1nc(NC(C)=O)cc1C | InChi: | InChI=1S/C6H9N3O/c1-4-3-6(9-8-4)7-5(2)10/h3H,1-2H3,(H2,7,8,9,10) | Definition date: | 2018-10-25 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | N-(5-methyl-1H-pyrazol-3-yl)acetamide |
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![K3D K3D](https://data.pdbj.org/pdbjplus/data/cc/svg/K3D.svg) | K3D | Name: | 4-acetyl-N-ethylpiperazine-1-carboxamide | Formula: | C9 H17 N3 O2 | SMILES: | N1(CCN(CC1)C(=O)C)C(NCC)=O | InChi: | InChI=1S/C9H17N3O2/c1-3-10-9(14)12-6-4-11(5-7-12)8(2)13/h3-7H2,1-2H3,(H,10,14) | Definition date: | 2018-10-25 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | 4-acetyl-N-ethylpiperazine-1-carboxamide |
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![K3J K3J](https://data.pdbj.org/pdbjplus/data/cc/svg/K3J.svg) | K3J | Name: | N-ethyl-6-methylpyridazin-3-amine | Formula: | C7 H11 N3 | SMILES: | n1nc(NCC)ccc1C | InChi: | InChI=1S/C7H11N3/c1-3-8-7-5-4-6(2)9-10-7/h4-5H,3H2,1-2H3,(H,8,10) | Definition date: | 2018-10-25 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | N-ethyl-6-methylpyridazin-3-amine |
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![K3M K3M](https://data.pdbj.org/pdbjplus/data/cc/svg/K3M.svg) | K3M | Name: | 2-fluoro-4-methylbenzamide | Formula: | C8 H8 F N O | SMILES: | c1(C(=O)N)ccc(cc1F)C | InChi: | InChI=1S/C8H8FNO/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H2,10,11) | Definition date: | 2018-10-25 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | 2-fluoro-4-methylbenzamide |
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![K3P K3P](https://data.pdbj.org/pdbjplus/data/cc/svg/K3P.svg) | K3P | Name: | 5-chloro-4-[(1-methyl-1H-pyrazol-4-yl)oxy]pyrimidine | Formula: | C8 H7 Cl N4 O | SMILES: | n1c(c(cnc1)Cl)Oc2cnn(C)c2 | InChi: | InChI=1S/C8H7ClN4O/c1-13-4-6(2-12-13)14-8-7(9)3-10-5-11-8/h2-5H,1H3 | Definition date: | 2018-10-25 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | 5-chloro-4-[(1-methyl-1H-pyrazol-4-yl)oxy]pyrimidine |
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![K3S K3S](https://data.pdbj.org/pdbjplus/data/cc/svg/K3S.svg) | K3S | Name: | N-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]ethanamine | Formula: | C6 H12 N4 | SMILES: | n1(nnc(c1)CNCC)C | InChi: | InChI=1S/C6H12N4/c1-3-7-4-6-5-10(2)9-8-6/h5,7H,3-4H2,1-2H3 | Definition date: | 2018-10-25 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | N-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]ethanamine |
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![K3V K3V](https://data.pdbj.org/pdbjplus/data/cc/svg/K3V.svg) | K3V | Name: | 7,8-dimethoxyphthalazin-1(2H)-one | Formula: | C10 H10 N2 O3 | SMILES: | N1N=Cc2c(C1=O)c(c(OC)cc2)OC | InChi: | InChI=1S/C10H10N2O3/c1-14-7-4-3-6-5-11-12-10(13)8(6)9(7)15-2/h3-5H,1-2H3,(H,12,13) | Definition date: | 2018-10-25 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | 7,8-dimethoxyphthalazin-1(2H)-one |
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![K3Y K3Y](https://data.pdbj.org/pdbjplus/data/cc/svg/K3Y.svg) | K3Y | Name: | 1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide | Formula: | C10 H16 N4 O | SMILES: | NC(=O)c2c(C1CCCNC1)nn(C)c2 | InChi: | InChI=1S/C10H16N4O/c1-14-6-8(10(11)15)9(13-14)7-3-2-4-12-5-7/h6-7,12H,2-5H2,1H3,(H2,11,15)/t7-/m1/s1 | Definition date: | 2018-10-25 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | 1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide |
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![K41 K41](https://data.pdbj.org/pdbjplus/data/cc/svg/K41.svg) | K41 | Name: | 2-methyl-N-(2-methyl-2H-tetrazol-5-yl)propanamide | Formula: | C6 H11 N5 O | SMILES: | n1nn(C)nc1NC(=O)C(C)C | InChi: | InChI=1S/C6H11N5O/c1-4(2)5(12)7-6-8-10-11(3)9-6/h4H,1-3H3,(H,7,9,12) | Definition date: | 2018-10-25 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | 2-methyl-N-(2-methyl-2H-tetrazol-5-yl)propanamide |
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![K5P K5P](https://data.pdbj.org/pdbjplus/data/cc/svg/K5P.svg) | K5P | Name: | (3S,4S)-2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid | Formula: | C27 H27 N O4 | SMILES: | c4c(N3C(c1ccc(cc1)OC)C(c2ccccc2C3=O)C(=O)O)ccc(c4)C(C)(C)C | InChi: | InChI=1S/C27H27NO4/c1-27(2,3)18-11-13-19(14-12-18)28-24(17-9-15-20(32-4)16-10-17)23(26(30)31)21-7-5-6-8-22(21)25(28)29/h5-16,23-24H,1-4H3,(H,30,31)/t23-,24+/m0/s1 | Definition date: | 2018-10-31 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | (3S,4S)-2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid |
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![K5S K5S](https://data.pdbj.org/pdbjplus/data/cc/svg/K5S.svg) | K5S | Name: | [(3S,4S)-2-(4-tert-butyl-3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]acetic acid | Formula: | C29 H27 Cl F N O5 | SMILES: | Fc1ccc5c(c1)C(=O)N(c2cc(Cl)c(C(C)(C)C)cc2)C(c4cc3OCCOc3cc4)C5CC(O)=O | InChi: | InChI=1S/C29H27ClFNO5/c1-29(2,3)22-8-6-18(14-23(22)30)32-27(16-4-9-24-25(12-16)37-11-10-36-24)20(15-26(33)34)19-7-5-17(31)13-21(19)28(32)35/h4-9,12-14,20,27H,10-11,15H2,1-3H3,(H,33,34)/t20-,27+/m0/s1 | Definition date: | 2018-10-31 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | [(3S,4S)-2-(4-tert-butyl-3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]acetic acid |
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![L5P L5P](https://data.pdbj.org/pdbjplus/data/cc/svg/L5P.svg) | L5P | Name: | (2S)-2-azanyl-6-[[(3R,4R)-3,4-bis(oxidanyl)-2-oxidanylidene-5-phosphonooxy-pentyl]amino]hexanoic acid | Formula: | C11 H23 N2 O9 P | SMILES: | NC(C(O)=O)CCCCNCC(=O)C(O)C(COP(O)(O)=O)O | InChi: | InChI=1S/C11H23N2O9P/c12-7(11(17)18)3-1-2-4-13-5-8(14)10(16)9(15)6-22-23(19,20)21/h7,9-10,13,15-16H,1-6,12H2,(H,17,18)(H2,19,20,21)/t7-,9+,10-/m0/s1 | Definition date: | 2014-11-17 | Last modified: | 2018-12-10 | Release date: | 2015-01-14 | Identifier: | (2S)-2-amino-6-{[(3R,4R)-3,4-dihydroxy-2-oxo-5-(phosphonooxy)pentyl]amino}hexanoic acid (non-preferred name) |
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![HX3 HX3](https://data.pdbj.org/pdbjplus/data/cc/svg/HX3.svg) | HX3 | Name: | (3,4-dichlorophenyl)hydrazine | Formula: | C6 H6 Cl2 N2 | SMILES: | c1(Cl)c(Cl)ccc(c1)NN | InChi: | InChI=1S/C6H6Cl2N2/c7-5-2-1-4(10-9)3-6(5)8/h1-3,10H,9H2 | Definition date: | 2018-02-06 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | (3,4-dichlorophenyl)hydrazine |
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![SJ5 SJ5](https://data.pdbj.org/pdbjplus/data/cc/svg/SJ5.svg) | SJ5 | Name: | (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid | Formula: | C6 H11 N O4 | SMILES: | C1NCC(C(O)=O)C(C1O)O | InChi: | InChI=1S/C6H11NO4/c8-4-2-7-1-3(5(4)9)6(10)11/h3-5,7-9H,1-2H2,(H,10,11)/t3-,4+,5+/m0/s1 | Definition date: | 2017-12-27 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid |
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![9P6 9P6](https://data.pdbj.org/pdbjplus/data/cc/svg/9P6.svg) | 9P6 | Name: | 2-[2-[1-~{tert}-butyl-5-(4-methoxyphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-~{N}-(oxan-4-ylmethyl)ethanamide | Formula: | C25 H32 N4 O3 S | SMILES: | COc1ccc(cc1)c2n(ncc2c3scc(CC(=O)NCC4CCOCC4)n3)C(C)(C)C | InChi: | InChI=1S/C25H32N4O3S/c1-25(2,3)29-23(18-5-7-20(31-4)8-6-18)21(15-27-29)24-28-19(16-33-24)13-22(30)26-14-17-9-11-32-12-10-17/h5-8,15-17H,9-14H2,1-4H3,(H,26,30) | Definition date: | 2018-06-17 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | 2-[2-[1-~{tert}-butyl-5-(4-methoxyphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-~{N}-(oxan-4-ylmethyl)ethanamide |
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![9RQ 9RQ](https://data.pdbj.org/pdbjplus/data/cc/svg/9RQ.svg) | 9RQ | Name: | [2-oxidanylidene-7-[oxidanyl-[(1~{S})-1-phenylethyl]phosphoryl]oxy-chromen-4-yl]methanesulfonic acid | Formula: | C18 H17 O8 P S | SMILES: | C[CH](c1ccccc1)[P](O)(=O)Oc2ccc3C(=CC(=O)Oc3c2)C[S](O)(=O)=O | InChi: | InChI=1S/C18H17O8PS/c1-12(13-5-3-2-4-6-13)27(20,21)26-15-7-8-16-14(11-28(22,23)24)9-18(19)25-17(16)10-15/h2-10,12H,11H2,1H3,(H,20,21)(H,22,23,24)/t12-/m0/s1 | Definition date: | 2017-07-04 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | [2-oxidanylidene-7-[oxidanyl-[(1~{S})-1-phenylethyl]phosphoryl]oxy-chromen-4-yl]methanesulfonic acid |
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![9RW 9RW](https://data.pdbj.org/pdbjplus/data/cc/svg/9RW.svg) | 9RW | Name: | (2~{S})-2-phenylpropanoic acid | Formula: | C9 H10 O2 | SMILES: | C[CH](C(O)=O)c1ccccc1 | InChi: | InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m0/s1 | Definition date: | 2017-07-05 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | (2~{S})-2-phenylpropanoic acid |
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