![ERR ERR](https://data.pdbj.org/pdbjplus/data/cc/svg/ERR.svg) | ERR | Name: | 2-(1-methylindol-5-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine | Formula: | C24 H22 N4 O3 | SMILES: | COc1cc(cc(OC)c1OC)c2ccnc3cc(nn23)c4ccc5n(C)ccc5c4 | InChi: | InChI=1S/C24H22N4O3/c1-27-10-8-16-11-15(5-6-19(16)27)18-14-23-25-9-7-20(28(23)26-18)17-12-21(29-2)24(31-4)22(13-17)30-3/h5-14H,1-4H3 | Definition date: | 2020-01-21 | Last modified: | 2021-01-15 | Release date: | 2021-01-20 | Identifier: | 2-(1-methylindol-5-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine |
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![ERX ERX](https://data.pdbj.org/pdbjplus/data/cc/svg/ERX.svg) | ERX | Name: | 2-(4-methylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine | Formula: | C22 H21 N3 O3 | SMILES: | COc1cc(cc(OC)c1OC)c2ccnc3cc(nn23)c4ccc(C)cc4 | InChi: | InChI=1S/C22H21N3O3/c1-14-5-7-15(8-6-14)17-13-21-23-10-9-18(25(21)24-17)16-11-19(26-2)22(28-4)20(12-16)27-3/h5-13H,1-4H3 | Definition date: | 2020-01-21 | Last modified: | 2021-01-15 | Release date: | 2021-01-20 | Identifier: | 2-(4-methylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine |
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![W1S W1S](https://data.pdbj.org/pdbjplus/data/cc/svg/W1S.svg) | W1S | Name: | (8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide | Formula: | C8 H11 N3 O | SMILES: | n21CCCC(c1ncc2)C(=O)N | InChi: | InChI=1S/C8H11N3O/c9-7(12)6-2-1-4-11-5-3-10-8(6)11/h3,5-6H,1-2,4H2,(H2,9,12)/t6-/m1/s1 | Definition date: | 2020-09-24 | Last modified: | 2021-01-08 | Release date: | 2021-01-13 | Identifier: | (8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide |
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![W3S W3S](https://data.pdbj.org/pdbjplus/data/cc/svg/W3S.svg) | W3S | Name: | [1,2,4]triazolo[4,3-a]pyridin-3-amine | Formula: | C6 H6 N4 | SMILES: | n2c(n1ccccc1n2)N | InChi: | InChI=1S/C6H6N4/c7-6-9-8-5-3-1-2-4-10(5)6/h1-4H,(H2,7,9) | Definition date: | 2020-09-24 | Last modified: | 2021-01-08 | Release date: | 2021-01-13 | Identifier: | [1,2,4]triazolo[4,3-a]pyridin-3-amine |
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![NW8 NW8](https://data.pdbj.org/pdbjplus/data/cc/svg/NW8.svg) | NW8 | Name: | 8-(4-chlorophenyl)-2-phenyl-imidazo[1,2-a]pyridine | Formula: | C19 H13 Cl N2 | SMILES: | Clc1ccc(cc1)c2cccn3cc(nc23)c4ccccc4 | InChi: | InChI=1S/C19H13ClN2/c20-16-10-8-14(9-11-16)17-7-4-12-22-13-18(21-19(17)22)15-5-2-1-3-6-15/h1-13H | Definition date: | 2019-12-20 | Last modified: | 2021-01-08 | Release date: | 2021-01-13 | Identifier: | 8-(4-chlorophenyl)-2-phenyl-imidazo[1,2-a]pyridine |
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![YK8 YK8](https://data.pdbj.org/pdbjplus/data/cc/svg/YK8.svg) | YK8 | Name: | 20alpha-hydroxy-20-(5-methylhexyl)cholesterol | Formula: | C28 H48 O2 | SMILES: | CC(C)CCCC[C](C)(O)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C | InChi: | InChI=1S/C28H48O2/c1-19(2)8-6-7-15-28(5,30)25-12-11-23-22-10-9-20-18-21(29)13-16-26(20,3)24(22)14-17-27(23,25)4/h9,19,21-25,29-30H,6-8,10-18H2,1-5H3/t21-,22-,23-,24-,25-,26-,27-,28-/m0/s1 | Definition date: | 2020-11-17 | Last modified: | 2021-01-08 | Release date: | 2021-01-13 | Identifier: | (3~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{S})-10,13-dimethyl-17-[(2~{S})-7-methyl-2-oxidanyl-octan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-ol |
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![KTQ KTQ](https://data.pdbj.org/pdbjplus/data/cc/svg/KTQ.svg) | KTQ | Name: | ~{N}-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine | Formula: | C22 H20 N4 O3 | SMILES: | COc1ccc(CCNc2n3ccccc3nc2c4ccc(cc4)[N+]([O-])=O)cc1 | InChi: | InChI=1S/C22H20N4O3/c1-29-19-11-5-16(6-12-19)13-14-23-22-21(24-20-4-2-3-15-25(20)22)17-7-9-18(10-8-17)26(27)28/h2-12,15,23H,13-14H2,1H3 | Definition date: | 2019-06-21 | Last modified: | 2021-01-08 | Release date: | 2021-01-13 | Identifier: | ~{N}-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine |
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![F4F F4F](https://data.pdbj.org/pdbjplus/data/cc/svg/F4F.svg) | F4F | Name: | (5aS,6R,9S,9aS)-9-methyl-9-oxidanyl-1-oxidanylidene-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid | Formula: | C15 H22 O5 | SMILES: | CC(C)[CH]1CC[C](C)(O)[CH]2[CH]1C=C(COC2=O)C(O)=O | InChi: | InChI=1S/C15H22O5/c1-8(2)10-4-5-15(3,19)12-11(10)6-9(13(16)17)7-20-14(12)18/h6,8,10-12,19H,4-5,7H2,1-3H3,(H,16,17)/t10-,11-,12-,15+/m1/s1 | Definition date: | 2020-03-23 | Last modified: | 2020-12-25 | Release date: | 2020-12-30 | Identifier: | (5~{a}~{S},6~{R},9~{S},9~{a}~{S})-9-methyl-9-oxidanyl-1-oxidanylidene-6-propan-2-yl-3,5~{a},6,7,8,9~{a}-hexahydro-2-benzoxepine-4-carboxylic acid |
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![QU7 QU7](https://data.pdbj.org/pdbjplus/data/cc/svg/QU7.svg) | QU7 | Name: | (1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol | Formula: | C28 H34 O | SMILES: | C21CC(=C(C1(CCC2O)/C(c3ccccc3)=C)c4ccccc4)CCCCCC | InChi: | InChI=1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25-,26+,28-/m1/s1 | Synonyms: | SS-RJW100 | Definition date: | 2019-12-20 | Last modified: | 2020-12-18 | Release date: | 2020-12-23 | Identifier: | (1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol |
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![4DG 4DG](https://data.pdbj.org/pdbjplus/data/cc/svg/4DG.svg) | 4DG | Name: | 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl dihydrogen phosphate | Formula: | C8 H12 N5 O6 P | SMILES: | NC1=Nc2n(COCCO[P](O)(O)=O)cnc2C(=O)N1 | InChi: | InChI=1S/C8H12N5O6P/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-18-1-2-19-20(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H3,9,11,12,14) | Synonyms: | acyclic guanosine monophosphate | Definition date: | 2009-11-09 | Last modified: | 2020-12-12 | Identifier: | 2-[(2-azanyl-6-oxo-1H-purin-9-yl)methoxy]ethyl dihydrogen phosphate |
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![W4V W4V](https://data.pdbj.org/pdbjplus/data/cc/svg/W4V.svg) | W4V | Name: | 6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-amine | Formula: | C8 H9 N5 | SMILES: | n3n2c(c1CCCc1nc2nc3)N | InChi: | InChI=1S/C8H9N5/c9-7-5-2-1-3-6(5)12-8-10-4-11-13(7)8/h4H,1-3,9H2 | Definition date: | 2020-09-29 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-amine |
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![RJH RJH](https://data.pdbj.org/pdbjplus/data/cc/svg/RJH.svg) | RJH | Name: | 1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{S})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea | Formula: | C21 H25 Cl N6 O4 | SMILES: | COC[CH]1COCCN1c2n3nc(C)cc3ncc2NC(=O)Nc4ccc(OC)c(Cl)c4 | InChi: | InChI=1S/C21H25ClN6O4/c1-13-8-19-23-10-17(25-21(29)24-14-4-5-18(31-3)16(22)9-14)20(28(19)26-13)27-6-7-32-12-15(27)11-30-2/h4-5,8-10,15H,6-7,11-12H2,1-3H3,(H2,24,25,29)/t15-/m0/s1 | Definition date: | 2020-09-30 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{S})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea |
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![SJK SJK](https://data.pdbj.org/pdbjplus/data/cc/svg/SJK.svg) | SJK | Name: | 5-oxidanylidene-~{N}-(2-sulfanylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide | Formula: | C9 H11 N3 O2 S2 | SMILES: | SCCNC(=O)C1=CN=C2SCCN2C1=O | InChi: | InChI=1S/C9H11N3O2S2/c13-7(10-1-3-15)6-5-11-9-12(8(6)14)2-4-16-9/h5,15H,1-4H2,(H,10,13) | Definition date: | 2020-11-17 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 5-oxidanylidene-~{N}-(2-sulfanylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide |
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![WG4 WG4](https://data.pdbj.org/pdbjplus/data/cc/svg/WG4.svg) | WG4 | Name: | N-(5-{[(5S)-7-(5-methylimidazo[1,2-a]pyrimidin-7-yl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide | Formula: | C20 H25 N7 O S | SMILES: | CC(=O)Nc1sc(cn1)CN5CCC2(CN(CC2)c4cc(C)n3ccnc3n4)C5 | InChi: | InChI=1S/C20H25N7OS/c1-14-9-17(24-18-21-5-8-27(14)18)26-7-4-20(13-26)3-6-25(12-20)11-16-10-22-19(29-16)23-15(2)28/h5,8-10H,3-4,6-7,11-13H2,1-2H3,(H,22,23,28)/t20-/m0/s1 | Definition date: | 2020-10-28 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | N-(5-{[(5S)-7-(5-methylimidazo[1,2-a]pyrimidin-7-yl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide |
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![X1A X1A](https://data.pdbj.org/pdbjplus/data/cc/svg/X1A.svg) | X1A | Name: | N-(5-{[6-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,6-diazaspiro[3.4]octan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide | Formula: | C18 H22 N8 O S | SMILES: | C(Nc1sc(cn1)CN2CC5(C2)CN(c3n4c(nc(c3)C)ncn4)CC5)(=O)C | InChi: | InChI=1S/C18H22N8OS/c1-12-5-15(26-16(22-12)20-11-21-26)25-4-3-18(10-25)8-24(9-18)7-14-6-19-17(28-14)23-13(2)27/h5-6,11H,3-4,7-10H2,1-2H3,(H,19,23,27) | Definition date: | 2020-11-20 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | N-(5-{[6-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,6-diazaspiro[3.4]octan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide |
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![QYQ QYQ](https://data.pdbj.org/pdbjplus/data/cc/svg/QYQ.svg) | QYQ | Name: | ~{N}-[(1~{S})-1-[4-[[2-chloranyl-7-[(1~{S})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]amino]phenyl]-2,2,2-tris(fluoranyl)ethyl]-~{N}-methyl-1,1-bis(oxidanylidene)thiane-4-carboxamide | Formula: | C24 H27 Cl F3 N5 O4 S | SMILES: | CO[CH](C)c1n2nc(Cl)cc2ncc1Nc3ccc(cc3)[CH](N(C)C(=O)C4CC[S](=O)(=O)CC4)C(F)(F)F | InChi: | InChI=1S/C24H27ClF3N5O4S/c1-14(37-3)21-18(13-29-20-12-19(25)31-33(20)21)30-17-6-4-15(5-7-17)22(24(26,27)28)32(2)23(34)16-8-10-38(35,36)11-9-16/h4-7,12-14,16,22,30H,8-11H2,1-3H3/t14-,22-/m0/s1 | Definition date: | 2020-08-21 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | ~{N}-[(1~{S})-1-[4-[[2-chloranyl-7-[(1~{S})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]amino]phenyl]-2,2,2-tris(fluoranyl)ethyl]-~{N}-methyl-1,1-bis(oxidanylidene)thiane-4-carboxamide |
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![RJQ RJQ](https://data.pdbj.org/pdbjplus/data/cc/svg/RJQ.svg) | RJQ | Name: | (3~{S},7~{R},10~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxamide | Formula: | C35 H41 Cl N6 O6 | SMILES: | CC(=O)N[CH](Cc1ccccc1Cl)C(=O)N2CCC[C]23C=C[CH]4CC[CH](N4C3=O)C(=O)N5CC[CH]6C=C[CH]7CC[CH](N7C(=O)[CH]56)C(N)=O | InChi: | InChI=1S/C35H41ClN6O6/c1-20(43)38-26(19-22-5-2-3-6-25(22)36)31(45)40-17-4-15-35(40)16-13-24-10-12-28(42(24)34(35)48)32(46)39-18-14-21-7-8-23-9-11-27(30(37)44)41(23)33(47)29(21)39/h2-3,5-8,13,16,21,23-24,26-29H,4,9-12,14-15,17-19H2,1H3,(H2,37,44)(H,38,43)/t21-,23-,24-,26-,27-,28-,29-,35+/m0/s1 | Definition date: | 2020-09-30 | Last modified: | 2020-11-20 | Release date: | 2020-11-25 | Identifier: | (3~{S},7~{R},10~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxamide |
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![UWM UWM](https://data.pdbj.org/pdbjplus/data/cc/svg/UWM.svg) | UWM | Name: | trans-3-(cyanomethyl)-3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}cyclobutane-1-carbonitrile | Formula: | C20 H17 N9 | SMILES: | n1c(cn4c(c1c2cnn(c2)C3(CC#N)CC(C#N)C3)ccn4)c5cn(nc5)C | InChi: | InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20- | Definition date: | 2020-06-02 | Last modified: | 2020-11-20 | Release date: | 2020-11-25 | Identifier: | trans-3-(cyanomethyl)-3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}cyclobutane-1-carbonitrile |
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![UWP UWP](https://data.pdbj.org/pdbjplus/data/cc/svg/UWP.svg) | UWP | Name: | [3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile | Formula: | C20 H18 F3 N9 | SMILES: | n15c(c(nc(c1)c2cnn(C)c2)c3cn(nc3)C4(CN(C4)CC(F)(F)F)CC#N)ccn5 | InChi: | InChI=1S/C20H18F3N9/c1-29-8-14(6-26-29)16-10-31-17(2-5-25-31)18(28-16)15-7-27-32(9-15)19(3-4-24)11-30(12-19)13-20(21,22)23/h2,5-10H,3,11-13H2,1H3 | Definition date: | 2020-06-02 | Last modified: | 2020-11-20 | Release date: | 2020-11-25 | Identifier: | [3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile |
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![Z8I Z8I](https://data.pdbj.org/pdbjplus/data/cc/svg/Z8I.svg) | Z8I | Name: | (3R,5S)-3-fluoro-5-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one | Formula: | C30 H29 F9 N2 O5 S | SMILES: | C2CN(C(=O)C1N(C(C(C1)F)=O)CC(O)(C)C)C3CCc5cc(C(C(F)(F)F)(F)C(F)(F)F)ccc5C23S(c4ccc(cc4)F)(=O)=O | InChi: | InChI=1S/C30H29F9N2O5S/c1-26(2,44)15-41-22(14-21(32)24(41)42)25(43)40-12-11-27(47(45,46)19-7-5-18(31)6-8-19)20-9-4-17(13-16(20)3-10-23(27)40)28(33,29(34,35)36)30(37,38)39/h4-9,13,21-23,44H,3,10-12,14-15H2,1-2H3/t21-,22+,23-,27-/m1/s1 | Definition date: | 2020-08-31 | Last modified: | 2020-11-20 | Release date: | 2020-11-25 | Identifier: | (3R,5S)-3-fluoro-5-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one |
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![BY9 BY9](https://data.pdbj.org/pdbjplus/data/cc/svg/BY9.svg) | BY9 | Name: | 12-beta-D-glucopyranosyl-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione | Formula: | C26 H21 N3 O7 | SMILES: | c1c7c(ccc1)c3c(c5c(c2C(=O)NC(c23)=O)c4ccccc4n5C6OC(C(C(C6O)O)O)CO)n7 | InChi: | InChI=1S/C26H21N3O7/c30-9-14-21(31)22(32)23(33)26(36-14)29-13-8-4-2-6-11(13)16-18-17(24(34)28-25(18)35)15-10-5-1-3-7-12(10)27-19(15)20(16)29/h1-8,14,21-23,26-27,30-33H,9H2,(H,28,34,35)/t14-,21-,22+,23-,26-/m1/s1 | Synonyms: | rebeccamycin analogue | Definition date: | 2019-11-04 | Last modified: | 2020-11-20 | Release date: | 2020-11-25 | Identifier: | 12-beta-D-glucopyranosyl-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione |
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![G2O G2O](https://data.pdbj.org/pdbjplus/data/cc/svg/G2O.svg) | G2O | Name: | Chlorophyll A ester | Formula: | C55 H70 Mg N4 O5 | SMILES: | CCC1=C(C)C2=NC1=Cc3n4[Mg][N]5C(=CC6=NC(=C7[CH](C(=O)OC)C(=O)c(c3C)c47)[CH](CCC(=O)OCC=C(C)CC=C[CH](C)CCC[CH](C)CCCC(C)C)[CH]6C)C(=C(C=C)C5=C2)C | InChi: | InChI=1S/C55H71N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42 | Definition date: | 2020-07-09 | Last modified: | 2020-11-20 | Release date: | 2020-11-25 |
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![GS0 GS0](https://data.pdbj.org/pdbjplus/data/cc/svg/GS0.svg) | GS0 | Name: | Bacteriochlorophyll A isomer | Formula: | C55 H74 Mg N4 O6 | SMILES: | CC[CH]1[CH](C)C2=Cc3n4[Mg][N]5C(=CC1=N2)C(=C6C(=O)[CH](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C(C)=O)[CH](C)[CH]7CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C | InChi: | InChI=1S/C55H75N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3 | Definition date: | 2020-08-07 | Last modified: | 2020-11-20 | Release date: | 2020-11-25 |
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![EXF EXF](https://data.pdbj.org/pdbjplus/data/cc/svg/EXF.svg) | EXF | Name: | N-[(2R)-2-fluoranyl-3-methyl-3-oxidanyl-butyl]-6-[(6-fluoranylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide | Formula: | C20 H25 F2 N7 O2 | SMILES: | CC(C)Nc1cc(Nc2nc3ccnn3cc2F)ncc1C(=O)NC[CH](F)C(C)(C)O | InChi: | InChI=1S/C20H25F2N7O2/c1-11(2)26-14-7-16(27-18-13(21)10-29-17(28-18)5-6-25-29)23-8-12(14)19(30)24-9-15(22)20(3,4)31/h5-8,10-11,15,31H,9H2,1-4H3,(H,24,30)(H2,23,26,27,28)/t15-/m1/s1 | Definition date: | 2020-02-14 | Last modified: | 2020-11-20 | Release date: | 2020-11-25 | Identifier: | ~{N}-[(2~{R})-2-fluoranyl-3-methyl-3-oxidanyl-butyl]-6-[(6-fluoranylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide |
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![NQ8 NQ8](https://data.pdbj.org/pdbjplus/data/cc/svg/NQ8.svg) | NQ8 | Name: | (5~{S},8~{S},9~{S},10~{S},13~{S},14~{S})-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one | Formula: | C19 H30 O | SMILES: | C[C]12CCC[CH]1[CH]3CC[CH]4CC(=O)CC[C]4(C)[CH]3CC2 | InChi: | InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13,15-17H,3-12H2,1-2H3/t13-,15-,16-,17-,18-,19-/m0/s1 | Definition date: | 2019-12-11 | Last modified: | 2020-11-13 | Release date: | 2020-11-18 | Identifier: | (5~{S},8~{S},9~{S},10~{S},13~{S},14~{S})-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one |
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