![UUX UUX](https://data.pdbj.org/pdbjplus/data/cc/svg/UUX.svg) | UUX | Name: | (2R,3S,4S)-6-benzyl-2-tert-butyl-5-methyl-4-phenyl-3-(1H-tetrazol-5-yl)-1,2,3,4-tetrahydropyridine | Formula: | C24 H29 N5 | SMILES: | CC(C)(C)C1NC(Cc2ccccc2)=C(C)C(C1c1nnn[NH]1)c1ccccc1 | InChi: | InChI=1S/C24H29N5/c1-16-19(15-17-11-7-5-8-12-17)25-22(24(2,3)4)21(23-26-28-29-27-23)20(16)18-13-9-6-10-14-18/h5-14,20-22,25H,15H2,1-4H3,(H,26,27,28,29)/t20-,21+,22-/m1/s1 | Definition date: | 2023-05-09 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | (2R,3S,4S)-6-benzyl-2-tert-butyl-5-methyl-4-phenyl-3-(1H-tetrazol-5-yl)-1,2,3,4-tetrahydropyridine |
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![WP8 WP8](https://data.pdbj.org/pdbjplus/data/cc/svg/WP8.svg) | WP8 | Name: | 4-chloro-2,5-dimethyl-N-(1-methyl-1H-pyrazol-5-yl)benzene-1-sulfonamide | Formula: | C12 H14 Cl N3 O2 S | SMILES: | O=S(=O)(Nc1ccnn1C)c1cc(C)c(Cl)cc1C | InChi: | InChI=1S/C12H14ClN3O2S/c1-8-7-11(9(2)6-10(8)13)19(17,18)15-12-4-5-14-16(12)3/h4-7,15H,1-3H3 | Definition date: | 2023-05-15 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | 4-chloro-2,5-dimethyl-N-(1-methyl-1H-pyrazol-5-yl)benzene-1-sulfonamide |
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![UV3 UV3](https://data.pdbj.org/pdbjplus/data/cc/svg/UV3.svg) | UV3 | Name: | 7-bromo-L-tryptophan | Formula: | C11 H11 Br N2 O2 | SMILES: | N[CH](Cc1c[nH]c2c(Br)cccc12)C(O)=O | InChi: | InChI=1S/C11H11BrN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)/t9-/m0/s1 | Definition date: | 2023-02-14 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | (2~{S})-2-azanyl-3-(7-bromanyl-1~{H}-indol-3-yl)propanoic acid |
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![W7U W7U](https://data.pdbj.org/pdbjplus/data/cc/svg/W7U.svg) | W7U | Name: | (5R)-3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-4,5-dihydro-1H-pyrazol-5-ol | Formula: | C11 H13 Cl N2 O S | SMILES: | CN1N=C(CSc2ccc(Cl)cc2)CC1O | InChi: | InChI=1S/C11H13ClN2OS/c1-14-11(15)6-9(13-14)7-16-10-4-2-8(12)3-5-10/h2-5,11,15H,6-7H2,1H3 | Definition date: | 2023-05-09 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | (5R)-3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-4,5-dihydro-1H-pyrazol-5-ol |
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![WPQ WPQ](https://data.pdbj.org/pdbjplus/data/cc/svg/WPQ.svg) | WPQ | Name: | 2-{[3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid | Formula: | C14 H15 N O5 S | SMILES: | CCOC(=O)c1ccsc1NC(=O)C=1CCCC=1C(=O)O | InChi: | InChI=1S/C14H15NO5S/c1-2-20-14(19)10-6-7-21-12(10)15-11(16)8-4-3-5-9(8)13(17)18/h6-7H,2-5H2,1H3,(H,15,16)(H,17,18) | Definition date: | 2023-05-15 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | 2-{[3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid |
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![WPU WPU](https://data.pdbj.org/pdbjplus/data/cc/svg/WPU.svg) | WPU | Name: | (3R,4R,7aS)-3-(3,4-dichlorophenyl)-1H,3H-imidazo[1,5-c][1,3]thiazole-5,7(6H,7aH)-dione | Formula: | C11 H8 Cl2 N2 O2 S | SMILES: | Clc1ccc(cc1Cl)C1SCC2C(=O)NC(=O)N12 | InChi: | InChI=1S/C11H8Cl2N2O2S/c12-6-2-1-5(3-7(6)13)10-15-8(4-18-10)9(16)14-11(15)17/h1-3,8,10H,4H2,(H,14,16,17)/t8-,10-/m1/s1 | Definition date: | 2023-05-15 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | (3R,4R,7aS)-3-(3,4-dichlorophenyl)-1H,3H-imidazo[1,5-c][1,3]thiazole-5,7(6H,7aH)-dione |
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![W8C W8C](https://data.pdbj.org/pdbjplus/data/cc/svg/W8C.svg) | W8C | Name: | 5-(benzyloxy)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol | Formula: | C12 H13 N3 O S | SMILES: | C=CCn1c(S)nnc1OCc1ccccc1 | InChi: | InChI=1S/C12H13N3OS/c1-2-8-15-11(13-14-12(15)17)16-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,14,17) | Definition date: | 2023-05-09 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | 5-(benzyloxy)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol |
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![WQ3 WQ3](https://data.pdbj.org/pdbjplus/data/cc/svg/WQ3.svg) | WQ3 | Name: | 2-{[(2M)-5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid | Formula: | C16 H14 Cl N3 O4 | SMILES: | Cc1nc(on1)c1ccc(Cl)cc1NC(=O)C=1CCCC=1C(=O)O | InChi: | InChI=1S/C16H14ClN3O4/c1-8-18-15(24-20-8)12-6-5-9(17)7-13(12)19-14(21)10-3-2-4-11(10)16(22)23/h5-7H,2-4H2,1H3,(H,19,21)(H,22,23) | Definition date: | 2023-05-15 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | 2-{[(2M)-5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid |
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![WQ8 WQ8](https://data.pdbj.org/pdbjplus/data/cc/svg/WQ8.svg) | WQ8 | Name: | (1R,2R,3R,4S)-3-(1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxylic acid | Formula: | C15 H15 N O2 S | SMILES: | O=C(O)C1C2CCC(C2)C1c1nc2ccccc2s1 | InChi: | InChI=1S/C15H15NO2S/c17-15(18)13-9-6-5-8(7-9)12(13)14-16-10-3-1-2-4-11(10)19-14/h1-4,8-9,12-13H,5-7H2,(H,17,18)/t8-,9+,12+,13+/m0/s1 | Definition date: | 2023-05-15 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | (1R,2R,3R,4S)-3-(1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxylic acid |
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![W8H W8H](https://data.pdbj.org/pdbjplus/data/cc/svg/W8H.svg) | W8H | Name: | (2S)-6-[(4-chlorophenyl)sulfanyl]-2-[(4-methylphenyl)sulfanyl]hexanoic acid | Formula: | C19 H21 Cl O2 S2 | SMILES: | Clc1ccc(SCCCCC(Sc2ccc(C)cc2)C(=O)O)cc1 | InChi: | InChI=1S/C19H21ClO2S2/c1-14-5-9-17(10-6-14)24-18(19(21)22)4-2-3-13-23-16-11-7-15(20)8-12-16/h5-12,18H,2-4,13H2,1H3,(H,21,22)/t18-/m0/s1 | Definition date: | 2023-05-09 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | (2S)-6-[(4-chlorophenyl)sulfanyl]-2-[(4-methylphenyl)sulfanyl]hexanoic acid |
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![WQC WQC](https://data.pdbj.org/pdbjplus/data/cc/svg/WQC.svg) | WQC | Name: | 2-{[(3-methoxyphenyl)sulfanyl]methyl}-1,3-thiazole-4-carboxylic acid | Formula: | C12 H11 N O3 S2 | SMILES: | O=C(O)c1csc(CSc2cccc(OC)c2)n1 | InChi: | InChI=1S/C12H11NO3S2/c1-16-8-3-2-4-9(5-8)17-7-11-13-10(6-18-11)12(14)15/h2-6H,7H2,1H3,(H,14,15) | Definition date: | 2023-05-15 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | 2-{[(3-methoxyphenyl)sulfanyl]methyl}-1,3-thiazole-4-carboxylic acid |
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![W8N W8N](https://data.pdbj.org/pdbjplus/data/cc/svg/W8N.svg) | W8N | Name: | 5-(3-bromo-4-methylphenyl)-3,3-dimethyl-5-oxopentanoic acid | Formula: | C14 H17 Br O3 | SMILES: | Cc1ccc(cc1Br)C(=O)CC(C)(C)CC(=O)O | InChi: | InChI=1S/C14H17BrO3/c1-9-4-5-10(6-11(9)15)12(16)7-14(2,3)8-13(17)18/h4-6H,7-8H2,1-3H3,(H,17,18) | Definition date: | 2023-05-09 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | 5-(3-bromo-4-methylphenyl)-3,3-dimethyl-5-oxopentanoic acid |
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![WQL WQL](https://data.pdbj.org/pdbjplus/data/cc/svg/WQL.svg) | WQL | Name: | (5S)-1-[(4-methoxyphenyl)methyl]-5-(propan-2-yl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione | Formula: | C18 H22 N2 O4 | SMILES: | CC(C)C1(CC=C)C(=O)N(Cc2ccc(OC)cc2)C(=O)NC1=O | InChi: | InChI=1S/C18H22N2O4/c1-5-10-18(12(2)3)15(21)19-17(23)20(16(18)22)11-13-6-8-14(24-4)9-7-13/h5-9,12H,1,10-11H2,2-4H3,(H,19,21,23)/t18-/m0/s1 | Definition date: | 2023-05-15 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | (5S)-1-[(4-methoxyphenyl)methyl]-5-(propan-2-yl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione |
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![W8T W8T](https://data.pdbj.org/pdbjplus/data/cc/svg/W8T.svg) | W8T | Name: | (2R,3S)-2-(phenoxymethyl)-1-phenylpyrrolidine-3-carboxylic acid | Formula: | C18 H19 N O3 | SMILES: | O=C(O)C1CCN(c2ccccc2)C1COc1ccccc1 | InChi: | InChI=1S/C18H19NO3/c20-18(21)16-11-12-19(14-7-3-1-4-8-14)17(16)13-22-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,20,21)/t16-,17-/m0/s1 | Definition date: | 2023-05-09 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | (2R,3S)-2-(phenoxymethyl)-1-phenylpyrrolidine-3-carboxylic acid |
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![W90 W90](https://data.pdbj.org/pdbjplus/data/cc/svg/W90.svg) | W90 | Name: | 5-(3,5-dichloroanilino)-3,3-dimethyl-5-oxopentanoic acid | Formula: | C13 H15 Cl2 N O3 | SMILES: | Clc1cc(NC(=O)CC(C)(C)CC(=O)O)cc(Cl)c1 | InChi: | InChI=1S/C13H15Cl2NO3/c1-13(2,7-12(18)19)6-11(17)16-10-4-8(14)3-9(15)5-10/h3-5H,6-7H2,1-2H3,(H,16,17)(H,18,19) | Definition date: | 2023-05-09 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | 5-(3,5-dichloroanilino)-3,3-dimethyl-5-oxopentanoic acid |
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![W95 W95](https://data.pdbj.org/pdbjplus/data/cc/svg/W95.svg) | W95 | Name: | (1S,2S)-2-({[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)cyclopropane-1-carboxylic acid | Formula: | C15 H24 O4 | SMILES: | O=C(OC1CC(C)CCC1C(C)C)C1CC1C(=O)O | InChi: | InChI=1S/C15H24O4/c1-8(2)10-5-4-9(3)6-13(10)19-15(18)12-7-11(12)14(16)17/h8-13H,4-7H2,1-3H3,(H,16,17)/t9-,10+,11+,12+,13-/m1/s1 | Definition date: | 2023-05-09 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | (1S,2S)-2-({[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)cyclopropane-1-carboxylic acid |
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![X7I X7I](https://data.pdbj.org/pdbjplus/data/cc/svg/X7I.svg) | X7I | Name: | [(2~{R},3~{S},4~{R},5~{R})-5-imidazo[2,1-f]purin-3-yl-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[2-(1~{H}-indol-3-yl)ethyl]carbamate | Formula: | C23 H23 N7 O5 | SMILES: | O[CH]1[CH](O)[CH](O[CH]1COC(=O)NCCc2c[nH]c3ccccc23)n4cnc5c6nccn6cnc45 | InChi: | InChI=1S/C23H23N7O5/c31-18-16(10-34-23(33)25-6-5-13-9-26-15-4-2-1-3-14(13)15)35-22(19(18)32)30-12-27-17-20-24-7-8-29(20)11-28-21(17)30/h1-4,7-9,11-12,16,18-19,22,26,31-32H,5-6,10H2,(H,25,33)/t16-,18-,19-,22-/m1/s1 | Definition date: | 2023-06-05 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-imidazo[2,1-f]purin-3-yl-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[2-(1~{H}-indol-3-yl)ethyl]carbamate |
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![W9B W9B](https://data.pdbj.org/pdbjplus/data/cc/svg/W9B.svg) | W9B | Name: | (2R)-2-(3,5-di-tert-butyl-2-hydroxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid | Formula: | C17 H23 F3 O4 | SMILES: | OC(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)(C(=O)O)C(F)(F)F | InChi: | InChI=1S/C17H23F3O4/c1-14(2,3)9-7-10(15(4,5)6)12(21)11(8-9)16(24,13(22)23)17(18,19)20/h7-8,21,24H,1-6H3,(H,22,23)/t16-/m1/s1 | Definition date: | 2023-05-09 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | (2R)-2-(3,5-di-tert-butyl-2-hydroxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid |
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![W9F W9F](https://data.pdbj.org/pdbjplus/data/cc/svg/W9F.svg) | W9F | Name: | 5-(3,4-dichlorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione | Formula: | C11 H8 Cl2 N2 O2 S | SMILES: | CC1(C(=O)NC(=S)NC1=O)c1ccc(Cl)c(Cl)c1 | InChi: | InChI=1S/C11H8Cl2N2O2S/c1-11(5-2-3-6(12)7(13)4-5)8(16)14-10(18)15-9(11)17/h2-4H,1H3,(H2,14,15,16,17,18) | Definition date: | 2023-05-09 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | 5-(3,4-dichlorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
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![W9K W9K](https://data.pdbj.org/pdbjplus/data/cc/svg/W9K.svg) | W9K | Name: | (5R)-7-(4-hydroxyphenyl)-1,8-dithia-3-azaspiro[4.5]dec-6-ene-2,4-dione | Formula: | C13 H11 N O3 S2 | SMILES: | Oc1ccc(cc1)C1=CC2(CCS1)SC(=O)NC2=O | InChi: | InChI=1S/C13H11NO3S2/c15-9-3-1-8(2-4-9)10-7-13(5-6-18-10)11(16)14-12(17)19-13/h1-4,7,15H,5-6H2,(H,14,16,17)/t13-/m1/s1 | Definition date: | 2023-05-09 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | (5R)-7-(4-hydroxyphenyl)-1,8-dithia-3-azaspiro[4.5]dec-6-ene-2,4-dione |
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![W9Q W9Q](https://data.pdbj.org/pdbjplus/data/cc/svg/W9Q.svg) | W9Q | Name: | (3aR,4R,5R,6S,7R,7aR)-3-(4-chlorophenyl)-6-methyl-3a,4,5,6,7,7a-hexahydro-4,7-methano-1,2-benzoxazole-5-carboxylic acid | Formula: | C16 H16 Cl N O3 | SMILES: | O=C(O)C1C2CC(C1C)C1ON=C(C21)c1ccc(Cl)cc1 | InChi: | InChI=1S/C16H16ClNO3/c1-7-10-6-11(12(7)16(19)20)13-14(18-21-15(10)13)8-2-4-9(17)5-3-8/h2-5,7,10-13,15H,6H2,1H3,(H,19,20)/t7-,10+,11-,12+,13+,15+/m0/s1 | Definition date: | 2023-05-09 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | (3aR,4R,5R,6S,7R,7aR)-3-(4-chlorophenyl)-6-methyl-3a,4,5,6,7,7a-hexahydro-4,7-methano-1,2-benzoxazole-5-carboxylic acid |
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![W9W W9W](https://data.pdbj.org/pdbjplus/data/cc/svg/W9W.svg) | W9W | Name: | 2-{[(4R)-4-phenyl-3,4-dihydro-2H-1lambda~4~-thiophen-5-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid | Formula: | C17 H19 N O3 S | SMILES: | O=C(O)C=1CCCC=1C(=O)NC1=SCCC1c1ccccc1 | InChi: | InChI=1S/C17H19NO3S/c19-15(13-7-4-8-14(13)17(20)21)18-16-12(9-10-22-16)11-5-2-1-3-6-11/h1-3,5-6,12,22H,4,7-10H2,(H,18,19)(H,20,21)/t12-/m1/s1 | Definition date: | 2023-05-09 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | 2-{[(4R)-4-phenyl-3,4-dihydro-2H-1lambda~4~-thiophen-5-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid |
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![WA4 WA4](https://data.pdbj.org/pdbjplus/data/cc/svg/WA4.svg) | WA4 | Name: | 5,7-bis[(trifluoromethyl)sulfanyl]quinolin-8-ol | Formula: | C11 H5 F6 N O S2 | SMILES: | FC(F)(F)Sc1cc(SC(F)(F)F)c2cccnc2c1O | InChi: | InChI=1S/C11H5F6NOS2/c12-10(13,14)20-6-4-7(21-11(15,16)17)9(19)8-5(6)2-1-3-18-8/h1-4,19H | Definition date: | 2023-05-09 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | 5,7-bis[(trifluoromethyl)sulfanyl]quinolin-8-ol |
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![WA9 WA9](https://data.pdbj.org/pdbjplus/data/cc/svg/WA9.svg) | WA9 | Name: | (2R)-{2,3-bis[(2-chlorophenyl)methoxy]phenyl}(methoxy)acetic acid | Formula: | C23 H20 Cl2 O5 | SMILES: | Clc1ccccc1COc1cccc(C(OC)C(=O)O)c1OCc1ccccc1Cl | InChi: | InChI=1S/C23H20Cl2O5/c1-28-22(23(26)27)17-9-6-12-20(29-13-15-7-2-4-10-18(15)24)21(17)30-14-16-8-3-5-11-19(16)25/h2-12,22H,13-14H2,1H3,(H,26,27)/t22-/m1/s1 | Definition date: | 2023-05-09 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | (2R)-{2,3-bis[(2-chlorophenyl)methoxy]phenyl}(methoxy)acetic acid |
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![UXR UXR](https://data.pdbj.org/pdbjplus/data/cc/svg/UXR.svg) | UXR | Name: | (2S)-2-phosphonopropanoic acid | Formula: | C3 H7 O5 P | SMILES: | O=C(O)C(C)P(=O)(O)O | InChi: | InChI=1S/C3H7O5P/c1-2(3(4)5)9(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m0/s1 | Definition date: | 2022-08-28 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | (2S)-2-phosphonopropanoic acid |
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