![ZVM ZVM](https://data.pdbj.org/pdbjplus/data/cc/svg/ZVM.svg) | ZVM | Name: | (2S,4aS)-2-cyclobutyl-10-methyl-3-phenyl-2,10-dihydropyrimido[4,5-b]quinoline-4,5(3H,4aH)-dione | Formula: | C22 H21 N3 O2 | SMILES: | O=C1C2C(=O)c3ccccc3N(C)C2=NC(C2CCC2)N1c1ccccc1 | InChi: | InChI=1S/C22H21N3O2/c1-24-17-13-6-5-12-16(17)19(26)18-21(24)23-20(14-8-7-9-14)25(22(18)27)15-10-3-2-4-11-15/h2-6,10-14,18,20H,7-9H2,1H3/t18?,20-/m0/s1 | Definition date: | 2023-04-06 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | (2S,4aS)-2-cyclobutyl-10-methyl-3-phenyl-2,10-dihydropyrimido[4,5-b]quinoline-4,5(3H,4aH)-dione |
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![SJ4 SJ4](https://data.pdbj.org/pdbjplus/data/cc/svg/SJ4.svg) | SJ4 | Name: | Fusicoccin J-acetonide | Formula: | C30 H50 O9 | SMILES: | COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH]4COC(C)(C)O[CH]4[CH](O)[CH]3O)C5=C(C[CH](O)[C]5(C)C[CH]12)C(C)C | InChi: | InChI=1S/C30H50O9/c1-14(2)18-10-21(31)30(6)11-19-16(12-35-7)8-9-17(19)15(3)23(32)27(22(18)30)38-28-25(34)24(33)26-20(37-28)13-36-29(4,5)39-26/h14-17,19-21,23-28,31-34H,8-13H2,1-7H3/t15-,16-,17+,19-,20-,21+,23-,24-,25-,26-,27-,28-,30+/m1/s1 | Synonyms: | (4~{a}~{R},6~{S},7~{R},8~{R},8~{a}~{S})-6-[[(1~{S},3~{R},4~{S},8~{R},9~{R},10~{R},11~{R},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,9-bis(oxidanyl)-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradec-6-enyl]oxy]-2,2-dimethyl-4,4~{a},6,7,8,8~{a}-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol | Definition date: | 2022-12-15 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | (4~{a}~{R},6~{S},7~{R},8~{R},8~{a}~{S})-6-[[(1~{S},3~{R},4~{S},8~{R},9~{R},10~{R},11~{R},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,9-bis(oxidanyl)-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradec-6-enyl]oxy]-2,2-dimethyl-4,4~{a},6,7,8,8~{a}-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol |
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![XLK XLK](https://data.pdbj.org/pdbjplus/data/cc/svg/XLK.svg) | XLK | Name: | (5R)-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7,11-dihydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-1-fluorohexan-2-one (non-preferred name) | Formula: | C25 H41 F O3 | SMILES: | FCC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C21C | InChi: | InChI=1S/C25H41FO3/c1-15(4-6-18(28)14-26)20-8-9-21-19-7-5-16-12-17(27)10-11-24(16,2)22(19)13-23(29)25(20,21)3/h15-17,19-23,27,29H,4-14H2,1-3H3/t15-,16-,17-,19+,20-,21+,22+,23+,24+,25-/m1/s1 | Definition date: | 2022-11-29 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | (5R)-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7,11-dihydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-1-fluorohexan-2-one (non-preferred name) |
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![9NY 9NY](https://data.pdbj.org/pdbjplus/data/cc/svg/9NY.svg) | 9NY | Name: | Hexacosanoyl-CoA | Formula: | C47 H86 N7 O17 P3 S | SMILES: | CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23 | InChi: | InChI=1S/C47H86N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54/h34-36,40-42,46,57-58H,4-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/t36-,40-,41-,42+,46-/m1/s1 | Synonyms: | C26:0 Coenzyme A | Definition date: | 2023-04-14 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] hexacosanethioate |
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![KHR KHR](https://data.pdbj.org/pdbjplus/data/cc/svg/KHR.svg) | KHR | Name: | 3-(3-fluorosulfonyloxy-4-methoxy-phenyl)-2,5-dimethyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine | Formula: | C21 H20 F N5 O4 S | SMILES: | COc1ccc(cc1O[S](F)(=O)=O)c2c(C)nn3c(NCc4ccncc4)cc(C)nc23 | InChi: | InChI=1S/C21H20FN5O4S/c1-13-10-19(24-12-15-6-8-23-9-7-15)27-21(25-13)20(14(2)26-27)16-4-5-17(30-3)18(11-16)31-32(22,28)29/h4-11,24H,12H2,1-3H3 | Definition date: | 2023-08-14 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 3-(3-fluorosulfonyloxy-4-methoxy-phenyl)-2,5-dimethyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine |
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![KI7 KI7](https://data.pdbj.org/pdbjplus/data/cc/svg/KI7.svg) | KI7 | Name: | 3-(3-fluorosulfonyloxy-4-methoxy-phenyl)-7-[(4-fluorosulfonyloxyphenyl)methylamino]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine | Formula: | C22 H20 F2 N4 O7 S2 | SMILES: | COc1ccc(cc1O[S](F)(=O)=O)c2c(C)nn3c(NCc4ccc(O[S](F)(=O)=O)cc4)cc(C)nc23 | InChi: | InChI=1S/C22H20F2N4O7S2/c1-13-10-20(25-12-15-4-7-17(8-5-15)34-36(23,29)30)28-22(26-13)21(14(2)27-28)16-6-9-18(33-3)19(11-16)35-37(24,31)32/h4-11,25H,12H2,1-3H3 | Definition date: | 2023-08-14 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 3-(3-fluorosulfonyloxy-4-methoxy-phenyl)-7-[(4-fluorosulfonyloxyphenyl)methylamino]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine |
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![KIH KIH](https://data.pdbj.org/pdbjplus/data/cc/svg/KIH.svg) | KIH | Name: | 3-(3,4-dimethoxyphenyl)-7-[(4-fluorosulfonyloxyphenyl)methylamino]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine | Formula: | C23 H23 F N4 O5 S | SMILES: | COc1ccc(cc1OC)c2c(C)nn3c(NCc4ccc(O[S](F)(=O)=O)cc4)cc(C)nc23 | InChi: | InChI=1S/C23H23FN4O5S/c1-14-11-21(25-13-16-5-8-18(9-6-16)33-34(24,29)30)28-23(26-14)22(15(2)27-28)17-7-10-19(31-3)20(12-17)32-4/h5-12,25H,13H2,1-4H3 | Definition date: | 2023-08-14 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 3-(3,4-dimethoxyphenyl)-7-[(4-fluorosulfonyloxyphenyl)methylamino]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine |
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![N8O N8O](https://data.pdbj.org/pdbjplus/data/cc/svg/N8O.svg) | N8O | Name: | ~{N}-[7-(dimethylamino)-2-methyl-pyrazolo[1,5-a]pyrimidin-5-yl]prop-2-enamide | Formula: | C12 H15 N5 O | SMILES: | CN(C)c1cc(NC(=O)C=C)nc2cc(C)nn12 | InChi: | InChI=1S/C12H15N5O/c1-5-11(18)14-9-7-12(16(3)4)17-10(13-9)6-8(2)15-17/h5-7H,1H2,2-4H3,(H,13,14,18) | Definition date: | 2023-01-11 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | ~{N}-[7-(dimethylamino)-2-methyl-pyrazolo[1,5-a]pyrimidin-5-yl]prop-2-enamide |
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![N99 N99](https://data.pdbj.org/pdbjplus/data/cc/svg/N99.svg) | N99 | Name: | ~{N}-pyrazolo[1,5-a]pyridin-2-ylprop-2-enamide | Formula: | C10 H9 N3 O | SMILES: | C=CC(=O)Nc1cc2ccccn2n1 | InChi: | InChI=1S/C10H9N3O/c1-2-10(14)11-9-7-8-5-3-4-6-13(8)12-9/h2-7H,1H2,(H,11,12,14) | Definition date: | 2023-01-11 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | ~{N}-pyrazolo[1,5-a]pyridin-2-ylprop-2-enamide |
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![XT9 XT9](https://data.pdbj.org/pdbjplus/data/cc/svg/XT9.svg) | XT9 | Name: | 6beta-amino-17-propyl-5alpha,9alpha,13alpha-4,5-epoxymorphinan-3,14-diol | Formula: | C19 H26 N2 O3 | SMILES: | Oc1ccc2CC3N(CCC45C(Oc1c24)C(N)CCC35O)CCC | InChi: | InChI=1S/C19H26N2O3/c1-2-8-21-9-7-18-15-11-3-4-13(22)16(15)24-17(18)12(20)5-6-19(18,23)14(21)10-11/h3-4,12,14,17,22-23H,2,5-10,20H2,1H3/t12-,14+,17+,18-,19-/m1/s1 | Definition date: | 2022-12-07 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | 6beta-amino-17-propyl-5alpha,9alpha,13alpha-4,5-epoxymorphinan-3,14-diol |
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![VQE VQE](https://data.pdbj.org/pdbjplus/data/cc/svg/VQE.svg) | VQE | Name: | (1S,3S)-N3-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine | Formula: | C16 H25 N5 | SMILES: | CCC(CC)c1cc(N[CH]2CC[CH](N)C2)n3nccc3n1 | InChi: | InChI=1S/C16H25N5/c1-3-11(4-2)14-10-16(19-13-6-5-12(17)9-13)21-15(20-14)7-8-18-21/h7-8,10-13,19H,3-6,9,17H2,1-2H3 | Definition date: | 2023-08-03 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | (1~{S},3~{S})-~{N}3-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine |
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![VSZ VSZ](https://data.pdbj.org/pdbjplus/data/cc/svg/VSZ.svg) | VSZ | Name: | Cystargolide A (bound) | Formula: | C18 H32 N2 O6 | SMILES: | CC[CH](C)[CH](NC(=O)[CH](NC(=O)[CH](O)[CH](C=O)C(C)C)C(C)C)C(O)=O | InChi: | InChI=1S/C18H32N2O6/c1-7-11(6)14(18(25)26)20-16(23)13(10(4)5)19-17(24)15(22)12(8-21)9(2)3/h8-15,22H,7H2,1-6H3,(H,19,24)(H,20,23)(H,25,26)/t11-,12-,13-,14-,15+/m0/s1 | Synonyms: | (2S,3S)-2-[[(2S)-2-[[(2R,3S)-3-methanoyl-4-methyl-2-oxidanyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoic acid | Definition date: | 2023-03-31 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | (2~{S},3~{S})-2-[[(2~{S})-2-[[(2~{R},3~{S})-3-methanoyl-4-methyl-2-oxidanyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoic acid |
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![SRM SRM](https://data.pdbj.org/pdbjplus/data/cc/svg/SRM.svg) | SRM | Name: | SIROHEME | Formula: | C42 H44 Fe N4 O16 | SMILES: | O=C(O)CCC=6C7=Cc1c(c(c2n1[Fe]84N5C(=CC3=C(CCC(=O)O)C(C(=C2)N34)(C)CC(=O)O)C(C(=C5C=C(C=6CC(=O)O)N78)CCC(=O)O)(C)CC(=O)O)CC(=O)O)CCC(=O)O | InChi: | InChI=1S/C42H46N4O16.Fe/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29 | Definition date: | 1999-07-08 | Last modified: | 2023-11-29 | Identifier: | {3,3',3'',3'''-[(8S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-8,13,22,24-tetrahydroporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~]tetrapropanoato(4-)}iron |
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![TJA TJA](https://data.pdbj.org/pdbjplus/data/cc/svg/TJA.svg) | TJA | Name: | (4S)-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine | Formula: | C6 H10 N4 | SMILES: | Cc1nnc2CNCCn12 | InChi: | InChI=1S/C6H10N4/c1-5-8-9-6-4-7-2-3-10(5)6/h7H,2-4H2,1H3 | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | (4S)-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine |
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![TJX TJX](https://data.pdbj.org/pdbjplus/data/cc/svg/TJX.svg) | TJX | Name: | 1-[(4S)-imidazo[1,2-a]pyridin-7-yl]methanamine | Formula: | C8 H9 N3 | SMILES: | NCc1cc2nccn2cc1 | InChi: | InChI=1S/C8H9N3/c9-6-7-1-3-11-4-2-10-8(11)5-7/h1-5H,6,9H2 | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 1-[(4S)-imidazo[1,2-a]pyridin-7-yl]methanamine |
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![XKE XKE](https://data.pdbj.org/pdbjplus/data/cc/svg/XKE.svg) | XKE | Name: | (1~{R},3~{a}~{R},6~{a}~{R})-4-phenyl-3~{a}-(1-phenylethenyl)-5-[9-(1~{H}-1,2,3,4-tetrazol-5-yl)nonyl]-2,3,6,6~{a}-tetrahydro-1~{H}-pentalen-1-ol | Formula: | C32 H40 N4 O | SMILES: | C=C(c1ccccc1)C12CCC(O)C2CC(CCCCCCCCCc2nnn[NH]2)=C1c1ccccc1 | InChi: | InChI=1S/C32H40N4O/c1-24(25-15-10-7-11-16-25)32-22-21-29(37)28(32)23-27(31(32)26-17-12-8-13-18-26)19-9-5-3-2-4-6-14-20-30-33-35-36-34-30/h7-8,10-13,15-18,28-29,37H,1-6,9,14,19-23H2,(H,33,34,35,36)/t28-,29+,32-/m0/s1 | Definition date: | 2022-11-23 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | (1R,3aR,6aR)-4-phenyl-3a-(1-phenylethenyl)-5-[9-(1H-tetrazol-5-yl)nonyl]-1,2,3,3a,6,6a-hexahydropentalen-1-ol (non-preferred name) |
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![W5W W5W](https://data.pdbj.org/pdbjplus/data/cc/svg/W5W.svg) | W5W | Name: | (1S,2S,11aS)-1-methoxy-1,4,7,10-tetramethyl-2,9-bis(oxidanyl)-2,11a-dihydrobenzo[b][1,4]benzodioxepine-3,6-dione | Formula: | C18 H20 O7 | SMILES: | CO[C]1(C)[CH](O)C(=O)C(=C2OC(=O)c3c(C)cc(O)c(C)c3O[CH]12)C | InChi: | InChI=1S/C18H20O7/c1-7-6-10(19)8(2)13-11(7)17(22)25-14-9(3)12(20)15(21)18(4,23-5)16(14)24-13/h6,15-16,19,21H,1-5H3/t15-,16+,18+/m1/s1 | Definition date: | 2023-05-03 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | (1~{S},2~{S},11~{a}~{S})-1-methoxy-1,4,7,10-tetramethyl-2,9-bis(oxidanyl)-2,11~{a}-dihydrobenzo[b][1,4]benzodioxepine-3,6-dione |
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![SVI SVI](https://data.pdbj.org/pdbjplus/data/cc/svg/SVI.svg) | SVI | Name: | (4S)-[1,2,4]triazolo[4,3-a]pyrazine | Formula: | C5 H4 N4 | SMILES: | c1cncc2nncn12 | InChi: | InChI=1S/C5H4N4/c1-2-9-4-7-8-5(9)3-6-1/h1-4H | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | (4S)-[1,2,4]triazolo[4,3-a]pyrazine |
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![K7L K7L](https://data.pdbj.org/pdbjplus/data/cc/svg/K7L.svg) | K7L | Name: | (4S)-imidazo[1,2-a]pyrimidine-5,7-diol | Formula: | C6 H5 N3 O2 | SMILES: | Oc1nc2nccn2c(O)c1 | InChi: | InChI=1S/C6H5N3O2/c10-4-3-5(11)9-2-1-7-6(9)8-4/h1-3,11H,(H,7,8,10) | Definition date: | 2023-08-10 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | (4S)-imidazo[1,2-a]pyrimidine-5,7-diol |
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![XUZ XUZ](https://data.pdbj.org/pdbjplus/data/cc/svg/XUZ.svg) | XUZ | Name: | N-{(3R,6M)-3-(2-chloro-5-fluorophenyl)-6-[(4S)-5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-3-fluoro-5-(trifluoromethyl)benzamide | Formula: | C29 H14 Cl F5 N6 O2 | SMILES: | FC(F)(F)c1cc(cc(F)c1)C(=O)Nc1cc(cc2C(=O)NC(c3cc(F)ccc3Cl)c21)c1ccc2ncnn2c1C#N | InChi: | InChI=1S/C29H14ClF5N6O2/c30-21-3-1-16(31)10-19(21)26-25-20(28(43)40-26)7-13(18-2-4-24-37-12-38-41(24)23(18)11-36)8-22(25)39-27(42)14-5-15(29(33,34)35)9-17(32)6-14/h1-10,12,26H,(H,39,42)(H,40,43)/t26-/m0/s1 | Synonyms: | RLY-2608 | Definition date: | 2023-11-13 | Last modified: | 2023-11-17 | Release date: | 2023-11-22 | Identifier: | N-{(3R,6M)-3-(2-chloro-5-fluorophenyl)-6-[(4S)-5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-3-fluoro-5-(trifluoromethyl)benzamide |
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![W9X W9X](https://data.pdbj.org/pdbjplus/data/cc/svg/W9X.svg) | W9X | Name: | [6-azanyl-5-(2,6-dimethyl-3-oxidanyl-phenyl)-2,3-dimethyl-pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazin-5-yl)methanone | Formula: | C23 H25 N7 O2 | SMILES: | Cc1ccc(O)c(C)c1n2c(N)c(C(=O)N3CCn4nccc4C3)c5nc(C)c(C)nc25 | InChi: | InChI=1S/C23H25N7O2/c1-12-5-6-17(31)13(2)20(12)30-21(24)18(19-22(30)27-15(4)14(3)26-19)23(32)28-9-10-29-16(11-28)7-8-25-29/h5-8,31H,9-11,24H2,1-4H3 | Definition date: | 2023-09-29 | Last modified: | 2023-11-17 | Release date: | 2023-11-22 | Identifier: | [6-azanyl-5-(2,6-dimethyl-3-oxidanyl-phenyl)-2,3-dimethyl-pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazin-5-yl)methanone |
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![X3I X3I](https://data.pdbj.org/pdbjplus/data/cc/svg/X3I.svg) | X3I | Name: | (5R)-5-{(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-[(prop-2-yn-1-yl)oxy]hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-1-fluorohexan-2-one (non-preferred name) | Formula: | C28 H43 F O2 | SMILES: | FCC(=O)CCC(C)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OCC#C | InChi: | InChI=1S/C28H43FO2/c1-5-16-31-22-12-14-27(3)20(17-22)7-9-23-25-11-10-24(19(2)6-8-21(30)18-29)28(25,4)15-13-26(23)27/h1,19-20,22-26H,6-18H2,2-4H3/t19-,20-,22-,23+,24-,25+,26+,27+,28-/m1/s1 | Definition date: | 2022-10-26 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 | Identifier: | (5R)-5-{(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-[(prop-2-yn-1-yl)oxy]hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-1-fluorohexan-2-one (non-preferred name) |
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![WG0 WG0](https://data.pdbj.org/pdbjplus/data/cc/svg/WG0.svg) | WG0 | Name: | [(6S,10P)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic acid | Formula: | C19 H17 Cl N4 O2 S | SMILES: | O=C(O)CC1N=C(c2ccc(Cl)cc2)c2c(C)c(C)sc2n2c(C)nnc21 | InChi: | InChI=1S/C19H17ClN4O2S/c1-9-10(2)27-19-16(9)17(12-4-6-13(20)7-5-12)21-14(8-15(25)26)18-23-22-11(3)24(18)19/h4-7,14H,8H2,1-3H3,(H,25,26)/t14-/m0/s1 | Definition date: | 2022-09-07 | Last modified: | 2023-11-03 | Release date: | 2023-10-04 | Identifier: | [(6S,10P)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic acid |
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![NRX NRX](https://data.pdbj.org/pdbjplus/data/cc/svg/NRX.svg) | NRX | Name: | 2-(3-chlorophenyl)-N-[(4S)-imidazo[1,5-a]pyridin-1-yl]acetamide | Formula: | C15 H12 Cl N3 O | SMILES: | Clc1cccc(c1)CC(=O)Nc1ncn2ccccc12 | InChi: | InChI=1S/C15H12ClN3O/c16-12-5-3-4-11(8-12)9-14(20)18-15-13-6-1-2-7-19(13)10-17-15/h1-8,10H,9H2,(H,18,20) | Definition date: | 2023-08-16 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 2-(3-chlorophenyl)-N-[(4S)-imidazo[1,5-a]pyridin-1-yl]acetamide |
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![TLX TLX](https://data.pdbj.org/pdbjplus/data/cc/svg/TLX.svg) | TLX | Name: | N1-(2-AMINO-4-METHYLPENTYL)OCTAHYDRO-PYRROLO[1,2-A] PYRIMIDINE | Formula: | C13 H27 N3 | SMILES: | N21CCCC1N(CCC2)CC(N)CC(C)C | InChi: | InChI=1S/C13H27N3/c1-11(2)9-12(14)10-16-8-4-7-15-6-3-5-13(15)16/h11-13H,3-10,14H2,1-2H3/t12-,13+/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2023-11-03 | Identifier: | (2S)-1-[(8aR)-hexahydropyrrolo[1,2-a]pyrimidin-1(2H)-yl]-4-methylpentan-2-amine |
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