![PWR PWR](https://data.pdbj.org/pdbjplus/data/cc/svg/PWR.svg) | PWR | Name: | (4R)-6-chloro-N-(2-oxo-2lambda~5~-isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | Formula: | C19 H15 Cl N2 O3 | SMILES: | [O-][n+]1cc2ccccc2c(c1)NC(=O)C1CCOc2ccc(Cl)cc21 | InChi: | InChI=1S/C19H15ClN2O3/c20-13-5-6-18-16(9-13)15(7-8-25-18)19(23)21-17-11-22(24)10-12-3-1-2-4-14(12)17/h1-6,9-11,15H,7-8H2,(H,21,23)/t15-/m1/s1 | Definition date: | 2023-08-18 | Last modified: | 2024-01-23 | Release date: | 2023-11-08 | Identifier: | (4R)-6-chloro-N-(2-oxo-2lambda~5~-isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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![V8D V8D](https://data.pdbj.org/pdbjplus/data/cc/svg/V8D.svg) | V8D | Name: | Etomidate | Formula: | C14 H16 N2 O2 | SMILES: | C(C)(n1c(cnc1)C(OCC)=O)c2ccccc2 | InChi: | InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1 | Definition date: | 2020-07-14 | Last modified: | 2024-01-23 | Release date: | 2020-09-09 | Identifier: | ethyl 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylate |
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![S3X S3X](https://data.pdbj.org/pdbjplus/data/cc/svg/S3X.svg) | S3X | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-(2-{[(1S)-1-(4-nitrophenyl)ethyl]amino}-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | Formula: | C29 H26 Cl N5 O4 | SMILES: | [O-][N+](=O)c1ccc(cc1)C(C)NC(=O)CN1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C29H26ClN5O4/c1-18(19-7-10-23(11-8-19)35(38)39)32-28(36)17-34-15-21-6-9-22(30)12-25(21)26(16-34)29(37)33-27-14-31-13-20-4-2-3-5-24(20)27/h2-14,18,26H,15-17H2,1H3,(H,32,36)(H,33,37)/t18-,26+/m0/s1 | Definition date: | 2023-08-22 | Last modified: | 2024-01-23 | Release date: | 2023-11-08 | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-(2-{[(1S)-1-(4-nitrophenyl)ethyl]amino}-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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![EL5 EL5](https://data.pdbj.org/pdbjplus/data/cc/svg/EL5.svg) | EL5 | Name: | 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid | Formula: | C33 H36 N4 O6 | SMILES: | CC=C1C(=C/C2=N/C(=Cc3[NH]c(/C=C4/NC(=O)C(C=C)=C4C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)/NC(=O)C1C | InChi: | InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19,34H,2,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b20-7+,26-13+,27-14-,29-15-/t19-/m0/s1 | Synonyms: | biliverdin, bound form at Pfr state | Definition date: | 2018-03-26 | Last modified: | 2024-01-23 | Release date: | 2018-11-28 | Identifier: | 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid |
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![VZE VZE](https://data.pdbj.org/pdbjplus/data/cc/svg/VZE.svg) | VZE | Name: | 5-[[octyl-[[4-(2-oxidanylphenoxy)phenyl]methyl]amino]methyl]-2-phenoxy-phenol | Formula: | C34 H39 N O4 | SMILES: | CCCCCCCCN(Cc1ccc(Oc2ccccc2O)cc1)Cc3ccc(Oc4ccccc4)c(O)c3 | InChi: | InChI=1S/C34H39NO4/c1-2-3-4-5-6-12-23-35(25-27-17-20-30(21-18-27)39-33-16-11-10-15-31(33)36)26-28-19-22-34(32(37)24-28)38-29-13-8-7-9-14-29/h7-11,13-22,24,36-37H,2-6,12,23,25-26H2,1H3 | Definition date: | 2023-04-21 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | 5-[[octyl-[[4-(2-oxidanylphenoxy)phenyl]methyl]amino]methyl]-2-phenoxy-phenol |
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![V5U V5U](https://data.pdbj.org/pdbjplus/data/cc/svg/V5U.svg) | V5U | Name: | (6M)-3-amino-N-{4-[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]pyridin-3-yl}-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide | Formula: | C22 H23 F3 N8 O3 | SMILES: | FC(F)(F)Oc1cccnc1c1cnc(N)c(n1)C(=O)Nc1cnccc1N1CCC(N)C(C1)OC | InChi: | InChI=1S/C22H23F3N8O3/c1-35-17-11-33(8-5-12(17)26)15-4-7-28-9-13(15)32-21(34)19-20(27)30-10-14(31-19)18-16(3-2-6-29-18)36-22(23,24)25/h2-4,6-7,9-10,12,17H,5,8,11,26H2,1H3,(H2,27,30)(H,32,34)/t12-,17+/m0/s1 | Definition date: | 2023-09-08 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | (6M)-3-amino-N-{4-[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]pyridin-3-yl}-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide |
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![WJ9 WJ9](https://data.pdbj.org/pdbjplus/data/cc/svg/WJ9.svg) | WJ9 | Name: | (3~{S})-~{N}-[4-methyl-3-[2-morpholin-4-yl-6-[[(2~{R})-1-oxidanylpropan-2-yl]amino]pyridin-4-yl]phenyl]-3-[2,2,2-tris(fluoranyl)ethyl]pyrrolidine-1-carboxamide | Formula: | C26 H34 F3 N5 O3 | SMILES: | C[CH](CO)Nc1cc(cc(n1)N2CCOCC2)c3cc(NC(=O)N4CC[CH](C4)CC(F)(F)F)ccc3C | InChi: | InChI=1S/C26H34F3N5O3/c1-17-3-4-21(31-25(36)34-6-5-19(15-34)14-26(27,28)29)13-22(17)20-11-23(30-18(2)16-35)32-24(12-20)33-7-9-37-10-8-33/h3-4,11-13,18-19,35H,5-10,14-16H2,1-2H3,(H,30,32)(H,31,36)/t18-,19+/m1/s1 | Definition date: | 2023-10-05 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | (3~{S})-~{N}-[4-methyl-3-[2-morpholin-4-yl-6-[[(2~{R})-1-oxidanylpropan-2-yl]amino]pyridin-4-yl]phenyl]-3-[2,2,2-tris(fluoranyl)ethyl]pyrrolidine-1-carboxamide |
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![XGN XGN](https://data.pdbj.org/pdbjplus/data/cc/svg/XGN.svg) | XGN | Name: | 5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-4-[(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]pyridin-2-one | Formula: | C29 H34 F N3 O5 | SMILES: | CN1C=C(C(=CC1=O)NCC(=O)N2CCOCC2)c3cc(ccc3Oc4c(C)cc(F)cc4C)C(C)(C)O | InChi: | InChI=1S/C29H34FN3O5/c1-18-12-21(30)13-19(2)28(18)38-25-7-6-20(29(3,4)36)14-22(25)23-17-32(5)26(34)15-24(23)31-16-27(35)33-8-10-37-11-9-33/h6-7,12-15,17,31,36H,8-11,16H2,1-5H3 | Definition date: | 2023-11-02 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | 5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-4-[(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]pyridin-2-one |
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![TL0 TL0](https://data.pdbj.org/pdbjplus/data/cc/svg/TL0.svg) | TL0 | Name: | 2-methylpropyl 5-fluoranyl-3-[1-[[1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl]-1,2,3-triazol-4-yl]-1~{H}-indole-2-carboxylate | Formula: | C33 H43 F N6 O4 S | SMILES: | CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1c3cn(CC4CCN(CCN[S](=O)(=O)c5ccc(CC(C)C)cc5)CC4)nn3 | InChi: | InChI=1S/C33H43FN6O4S/c1-22(2)17-24-5-8-27(9-6-24)45(42,43)35-13-16-39-14-11-25(12-15-39)19-40-20-30(37-38-40)31-28-18-26(34)7-10-29(28)36-32(31)33(41)44-21-23(3)4/h5-10,18,20,22-23,25,35-36H,11-17,19,21H2,1-4H3 | Definition date: | 2023-01-11 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | 2-methylpropyl 5-fluoranyl-3-[1-[[1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl]-1,2,3-triazol-4-yl]-1~{H}-indole-2-carboxylate |
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![W39 W39](https://data.pdbj.org/pdbjplus/data/cc/svg/W39.svg) | W39 | Name: | (6M)-3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide | Formula: | C22 H23 F3 N8 O | SMILES: | FC(F)(F)c1cccnc1c1cnc(N)c(n1)C(=O)Nc1ncccc1N1CCC(C)(N)CC1 | InChi: | InChI=1S/C22H23F3N8O/c1-21(27)6-10-33(11-7-21)15-5-3-9-29-19(15)32-20(34)17-18(26)30-12-14(31-17)16-13(22(23,24)25)4-2-8-28-16/h2-5,8-9,12H,6-7,10-11,27H2,1H3,(H2,26,30)(H,29,32,34) | Definition date: | 2023-09-22 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | (6M)-3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide |
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![XHE XHE](https://data.pdbj.org/pdbjplus/data/cc/svg/XHE.svg) | XHE | Name: | ~{N}-cyclopropyl-2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]ethanamide | Formula: | C28 H32 F N3 O4 | SMILES: | CN1C=C(C(=CC1=O)NCC(=O)NC2CC2)c3cc(ccc3Oc4c(C)cc(F)cc4C)C(C)(C)O | InChi: | InChI=1S/C28H32FN3O4/c1-16-10-19(29)11-17(2)27(16)36-24-9-6-18(28(3,4)35)12-21(24)22-15-32(5)26(34)13-23(22)30-14-25(33)31-20-7-8-20/h6,9-13,15,20,30,35H,7-8,14H2,1-5H3,(H,31,33) | Definition date: | 2023-11-02 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | ~{N}-cyclopropyl-2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]ethanamide |
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![XHN XHN](https://data.pdbj.org/pdbjplus/data/cc/svg/XHN.svg) | XHN | Name: | 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide | Formula: | C31 H38 F N3 O5 | SMILES: | CN1C=C(C(=CC1=O)NCC(=O)N[CH]2CC[CH](O)CC2)c3cc(ccc3Oc4c(C)cc(F)cc4C)C(C)(C)O | InChi: | InChI=1S/C31H38FN3O5/c1-18-12-21(32)13-19(2)30(18)40-27-11-6-20(31(3,4)39)14-24(27)25-17-35(5)29(38)15-26(25)33-16-28(37)34-22-7-9-23(36)10-8-22/h6,11-15,17,22-23,33,36,39H,7-10,16H2,1-5H3,(H,34,37)/t22-,23- | Definition date: | 2023-11-02 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide |
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![NJ6 NJ6](https://data.pdbj.org/pdbjplus/data/cc/svg/NJ6.svg) | NJ6 | Name: | 2-[(4-azanylcyclohexyl)amino]-7-cyclopentyl-~{N},~{N}-dimethyl-pyrrolo[2,3-d]pyrimidine-6-carboxamide | Formula: | C20 H30 N6 O | SMILES: | CN(C)C(=O)c1cc2cnc(N[CH]3CC[CH](N)CC3)nc2n1C4CCCC4 | InChi: | InChI=1S/C20H30N6O/c1-25(2)19(27)17-11-13-12-22-20(23-15-9-7-14(21)8-10-15)24-18(13)26(17)16-5-3-4-6-16/h11-12,14-16H,3-10,21H2,1-2H3,(H,22,23,24)/t14-,15- | Definition date: | 2023-01-17 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | 2-[(4-azanylcyclohexyl)amino]-7-cyclopentyl-~{N},~{N}-dimethyl-pyrrolo[2,3-d]pyrimidine-6-carboxamide |
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![YLN YLN](https://data.pdbj.org/pdbjplus/data/cc/svg/YLN.svg) | YLN | Name: | bis[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-bis(oxidanyl)boranuide | Formula: | C10 H10 B F6 N4 O2 | SMILES: | Cn1nc(cc1[B-](O)(O)c2cc(nn2C)C(F)(F)F)C(F)(F)F | InChi: | InChI=1S/C10H10BF6N4O2/c1-20-7(3-5(18-20)9(12,13)14)11(22,23)8-4-6(10(15,16)17)19-21(8)2/h3-4,22-23H,1-2H3/q-1 | Definition date: | 2023-06-19 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | bis[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-bis(oxidanyl)boranuide |
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![YLZ YLZ](https://data.pdbj.org/pdbjplus/data/cc/svg/YLZ.svg) | YLZ | Name: | [(2~{R})-2,3-bis(oxidanyl)propoxy]-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]borinic acid | Formula: | C8 H12 B F3 N2 O4 | SMILES: | Cn1nc(cc1B(O)OC[CH](O)CO)C(F)(F)F | InChi: | InChI=1S/C8H12BF3N2O4/c1-14-7(2-6(13-14)8(10,11)12)9(17)18-4-5(16)3-15/h2,5,15-17H,3-4H2,1H3 | Definition date: | 2023-06-19 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | [(2~{R})-2,3-bis(oxidanyl)propoxy]-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]borinic acid |
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![Y45 Y45](https://data.pdbj.org/pdbjplus/data/cc/svg/Y45.svg) | Y45 | Name: | Agrocinopine D-like (C2-C2 linked; with two alpha-D-glucopyranoses) | Formula: | C12 H23 O14 P | SMILES: | OC[CH]1O[CH](O)[CH](O[P](O)(=O)O[CH]2[CH](O)O[CH](CO)[CH](O)[CH]2O)[CH](O)[CH]1O | InChi: | InChI=1S/C12H23O14P/c13-1-3-5(15)7(17)9(11(19)23-3)25-27(21,22)26-10-8(18)6(16)4(2-14)24-12(10)20/h3-20H,1-2H2,(H,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11+,12+/m1/s1 | Synonyms: | Agrocinopine D-like | Definition date: | 2023-06-09 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | bis[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate |
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![Y4H Y4H](https://data.pdbj.org/pdbjplus/data/cc/svg/Y4H.svg) | Y4H | Name: | Agrocinopine D-like (C2-C2 linked; with an alpha and beta-D-glucopyranose) | Formula: | C12 H23 O14 P | SMILES: | OC[CH]1O[CH](O)[CH](O[P](O)(=O)O[CH]2[CH](O)O[CH](CO)[CH](O)[CH]2O)[CH](O)[CH]1O | InChi: | InChI=1S/C12H23O14P/c13-1-3-5(15)7(17)9(11(19)23-3)25-27(21,22)26-10-8(18)6(16)4(2-14)24-12(10)20/h3-20H,1-2H2,(H,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12+/m1/s1 | Synonyms: | Agrocinopine D-like | Definition date: | 2023-06-09 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] [(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate |
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![YMK YMK](https://data.pdbj.org/pdbjplus/data/cc/svg/YMK.svg) | YMK | Name: | (2~{R})-3-bis[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]boranyloxypropane-1,2-diol | Formula: | C13 H15 B F6 N4 O3 | SMILES: | Cn1nc(cc1B(OC[CH](O)CO)c2cc(nn2C)C(F)(F)F)C(F)(F)F | InChi: | InChI=1S/C13H15BF6N4O3/c1-23-10(3-8(21-23)12(15,16)17)14(27-6-7(26)5-25)11-4-9(13(18,19)20)22-24(11)2/h3-4,7,25-26H,5-6H2,1-2H3/t7-/m1/s1 | Definition date: | 2023-06-19 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | (2~{R})-3-bis[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]boranyloxypropane-1,2-diol |
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![VDF VDF](https://data.pdbj.org/pdbjplus/data/cc/svg/VDF.svg) | VDF | Name: | 2-O-phosphono-beta-L-arabinopyranose | Formula: | C5 H11 O8 P | SMILES: | O[CH]1CO[CH](O)[CH](O[P](O)(O)=O)[CH]1O | InChi: | InChI=1S/C5H11O8P/c6-2-1-12-5(8)4(3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5-/m0/s1 | Synonyms: | 2-O-phosphono-beta-L-arabinose | Definition date: | 2023-03-01 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | [(2~{S},3~{R},4~{S},5~{S})-2,4,5-tris(oxidanyl)oxan-3-yl] dihydrogen phosphate |
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![Q30 Q30](https://data.pdbj.org/pdbjplus/data/cc/svg/Q30.svg) | Q30 | Name: | 3-[(3S,5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,5,14-tris(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one | Formula: | C23 H34 O5 | SMILES: | C[C]12CC[CH](O)C[C]1(O)CC[CH]3[CH]2CC[C]4(C)[CH](CC[C]34O)C5=CC(=O)OC5 | InChi: | InChI=1S/C23H34O5/c1-20-7-3-15(24)12-22(20,26)9-5-18-17(20)4-8-21(2)16(6-10-23(18,21)27)14-11-19(25)28-13-14/h11,15-18,24,26-27H,3-10,12-13H2,1-2H3/t15-,16+,17-,18-,20+,21+,22-,23-/m0/s1 | Definition date: | 2023-03-15 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | 3-[(3~{S},5~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-10,13-dimethyl-3,5,14-tris(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-2~{H}-furan-5-one |
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![UKU UKU](https://data.pdbj.org/pdbjplus/data/cc/svg/UKU.svg) | UKU | Name: | [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-N-[9-[(2R,3S,5R)-5-[[[(2R,3S)-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid | Formula: | C21 H34 N6 O16 P2 | SMILES: | CC(C)[CH](O)[CH](O)C(=O)N[P](O)(=O)O[CH]1C[CH](O)[CH](O1)n2cnc3c(N[P](O)(=O)O[CH]4[CH](O)O[CH](CO)[CH](O)[CH]4O)ncnc23 | InChi: | InChI=1S/C21H34N6O16P2/c1-7(2)12(30)15(33)19(34)26-45(38,39)42-10-3-8(29)20(41-10)27-6-24-11-17(22-5-23-18(11)27)25-44(36,37)43-16-14(32)13(31)9(4-28)40-21(16)35/h5-10,12-16,20-21,28-33,35H,3-4H2,1-2H3,(H2,26,34,38,39)(H2,22,23,25,36,37)/t8-,9+,10+,12-,13+,14-,15+,16+,20+,21-/m0/s1 | Synonyms: | Agrocin 84 (alpha-D-glucopyranose form) | Definition date: | 2023-02-07 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-~{N}-[9-[(2~{R},3~{S},5~{R})-5-[[[(2~{R},3~{S})-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid |
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![Y8X Y8X](https://data.pdbj.org/pdbjplus/data/cc/svg/Y8X.svg) | Y8X | Name: | (2S)-5-chloro-2-(3-methylphenyl)-2,3-dihydroquinazolin-4(1H)-one | Formula: | C15 H13 Cl N2 O | SMILES: | Cc1cccc(c1)C1Nc2cccc(Cl)c2C(=O)N1 | InChi: | InChI=1S/C15H13ClN2O/c1-9-4-2-5-10(8-9)14-17-12-7-3-6-11(16)13(12)15(19)18-14/h2-8,14,17H,1H3,(H,18,19)/t14-/m0/s1 | Definition date: | 2023-01-12 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | (2S)-5-chloro-2-(3-methylphenyl)-2,3-dihydroquinazolin-4(1H)-one |
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![XBF XBF](https://data.pdbj.org/pdbjplus/data/cc/svg/XBF.svg) | XBF | Name: | ~{N}-methyl-~{N}-octyl-3,4,5-tris(oxidanyl)benzamide | Formula: | C16 H25 N O4 | SMILES: | CCCCCCCCN(C)C(=O)c1cc(O)c(O)c(O)c1 | InChi: | InChI=1S/C16H25NO4/c1-3-4-5-6-7-8-9-17(2)16(21)12-10-13(18)15(20)14(19)11-12/h10-11,18-20H,3-9H2,1-2H3 | Definition date: | 2023-10-27 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | ~{N}-methyl-~{N}-octyl-3,4,5-tris(oxidanyl)benzamide |
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![VWE VWE](https://data.pdbj.org/pdbjplus/data/cc/svg/VWE.svg) | VWE | Name: | 2-fluoranyl-5-sulfo-benzoic acid | Formula: | C7 H5 F O5 S | SMILES: | OC(=O)c1cc(ccc1F)[S](O)(=O)=O | InChi: | InChI=1S/C7H5FO5S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3H,(H,9,10)(H,11,12,13) | Definition date: | 2023-04-12 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | 2-fluoranyl-5-sulfo-benzoic acid |
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![YAT YAT](https://data.pdbj.org/pdbjplus/data/cc/svg/YAT.svg) | YAT | Name: | emetine | Formula: | C29 H40 N2 O4 | SMILES: | COc1cc2CCNC(CC3CC4c5cc(OC)c(OC)cc5CCN4CC3CC)c2cc1OC | InChi: | InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1 | Synonyms: | (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine | Definition date: | 2023-01-20 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | (5S)-6',7',10,11-tetramethoxyemetan |
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