![QE2 QE2](https://data.pdbj.org/pdbjplus/data/cc/svg/QE2.svg) | QE2 | Name: | 5-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid | Formula: | C17 H16 F N O4 S | SMILES: | OC(=O)c1cc(F)ccc1N[S](=O)(=O)c2ccc3CCCCc3c2 | InChi: | InChI=1S/C17H16FNO4S/c18-13-6-8-16(15(10-13)17(20)21)19-24(22,23)14-7-5-11-3-1-2-4-12(11)9-14/h5-10,19H,1-4H2,(H,20,21) | Definition date: | 2020-06-09 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | 5-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid |
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![QEK QEK](https://data.pdbj.org/pdbjplus/data/cc/svg/QEK.svg) | QEK | Name: | 2-[[3-chloranyl-4-[(1~{H}-indazol-3-ylcarbonylamino)methyl]phenyl]sulfonylamino]-5-methyl-benzoic acid | Formula: | C23 H19 Cl N4 O5 S | SMILES: | Cc1ccc(N[S](=O)(=O)c2ccc(CNC(=O)c3n[nH]c4ccccc34)c(Cl)c2)c(c1)C(O)=O | InChi: | InChI=1S/C23H19ClN4O5S/c1-13-6-9-20(17(10-13)23(30)31)28-34(32,33)15-8-7-14(18(24)11-15)12-25-22(29)21-16-4-2-3-5-19(16)26-27-21/h2-11,28H,12H2,1H3,(H,25,29)(H,26,27)(H,30,31) | Definition date: | 2020-06-10 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | 2-[[3-chloranyl-4-[(1~{H}-indazol-3-ylcarbonylamino)methyl]phenyl]sulfonylamino]-5-methyl-benzoic acid |
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![QF8 QF8](https://data.pdbj.org/pdbjplus/data/cc/svg/QF8.svg) | QF8 | Name: | ~{N},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{R})-pyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide | Formula: | C22 H26 N10 O | SMILES: | CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)n4cc(N[CH]5CCNC5)c(C)n4)cc12 | InChi: | InChI=1S/C22H26N10O/c1-13-17(26-15-6-8-24-11-15)12-32(29-13)19-7-9-25-22(28-19)27-14-4-5-18-16(10-14)20(21(33)23-2)30-31(18)3/h4-5,7,9-10,12,15,24,26H,6,8,11H2,1-3H3,(H,23,33)(H,25,27,28)/t15-/m1/s1 | Definition date: | 2020-06-15 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | ~{N},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{R})-pyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide |
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![QFB QFB](https://data.pdbj.org/pdbjplus/data/cc/svg/QFB.svg) | QFB | Name: | 7-[[4-[4-[[(3~{R},4~{R})-3-azanyloxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide | Formula: | C22 H26 N10 O2 | SMILES: | CNC(=O)c1nc(C)n2ccc(Nc3nccc(n3)n4cc(N[CH]5CCOC[CH]5N)cn4)cc12 | InChi: | InChI=1S/C22H26N10O2/c1-13-27-20(21(33)24-2)18-9-14(4-7-31(13)18)29-22-25-6-3-19(30-22)32-11-15(10-26-32)28-17-5-8-34-12-16(17)23/h3-4,6-7,9-11,16-17,28H,5,8,12,23H2,1-2H3,(H,24,33)(H,25,29,30)/t16-,17+/m0/s1 | Definition date: | 2020-06-15 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | 7-[[4-[4-[[(3~{R},4~{R})-3-azanyloxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide |
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![QFE QFE](https://data.pdbj.org/pdbjplus/data/cc/svg/QFE.svg) | QFE | Name: | (3~{R},4~{R})-~{N}4-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine | Formula: | C23 H24 N8 O | SMILES: | Cn1ccc2c1cccc2c3[nH]c4nccc(n5cc(N[CH]6CCOC[CH]6N)cn5)c4n3 | InChi: | InChI=1S/C23H24N8O/c1-30-9-6-15-16(3-2-4-19(15)30)22-28-21-20(5-8-25-23(21)29-22)31-12-14(11-26-31)27-18-7-10-32-13-17(18)24/h2-6,8-9,11-12,17-18,27H,7,10,13,24H2,1H3,(H,25,28,29)/t17-,18+/m0/s1 | Definition date: | 2020-06-15 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | (3~{R},4~{R})-~{N}4-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine |
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![QFK QFK](https://data.pdbj.org/pdbjplus/data/cc/svg/QFK.svg) | QFK | Name: | 7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide | Formula: | C20 H23 N9 O | SMILES: | CNC(=O)c1nc(C)n2ccc(Nc3nccc(n3)n4cc(CN(C)C)cn4)cc12 | InChi: | InChI=1S/C20H23N9O/c1-13-24-18(19(30)21-2)16-9-15(6-8-28(13)16)25-20-22-7-5-17(26-20)29-12-14(10-23-29)11-27(3)4/h5-10,12H,11H2,1-4H3,(H,21,30)(H,22,25,26) | Definition date: | 2020-06-15 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | 7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide |
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![QFQ QFQ](https://data.pdbj.org/pdbjplus/data/cc/svg/QFQ.svg) | QFQ | Name: | ~{N},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{R})-piperidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide | Formula: | C23 H28 N10 O | SMILES: | CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)n4cc(N[CH]5CCCNC5)c(C)n4)cc12 | InChi: | InChI=1S/C23H28N10O/c1-14-18(27-16-5-4-9-25-12-16)13-33(30-14)20-8-10-26-23(29-20)28-15-6-7-19-17(11-15)21(22(34)24-2)31-32(19)3/h6-8,10-11,13,16,25,27H,4-5,9,12H2,1-3H3,(H,24,34)(H,26,28,29)/t16-/m1/s1 | Definition date: | 2020-06-15 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | ~{N},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{R})-piperidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide |
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![HUO HUO](https://data.pdbj.org/pdbjplus/data/cc/svg/HUO.svg) | HUO | Name: | (phenylmethyl) N-[(2S)-1-[[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate | Formula: | C33 H41 N5 O6 S | SMILES: | CC(C)C[CH](NC(=O)[CH](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[CH](C[CH]2CCNC2=O)C(=O)c3sc4ccccc4n3 | InChi: | InChI=1S/C33H41N5O6S/c1-19(2)16-25(36-31(42)27(20(3)4)38-33(43)44-18-21-10-6-5-7-11-21)30(41)35-24(17-22-14-15-34-29(22)40)28(39)32-37-23-12-8-9-13-26(23)45-32/h5-13,19-20,22,24-25,27H,14-18H2,1-4H3,(H,34,40)(H,35,41)(H,36,42)(H,38,43)/t22-,24-,25-,27-/m0/s1 | Definition date: | 2021-02-02 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | (phenylmethyl) ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate |
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![HUR HUR](https://data.pdbj.org/pdbjplus/data/cc/svg/HUR.svg) | HUR | Name: | N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | Formula: | C30 H33 N5 O5 S | SMILES: | COc1cccc2[nH]c(cc12)C(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]3CCNC3=O)C(=O)c4sc5ccccc5n4 | InChi: | InChI=1S/C30H33N5O5S/c1-16(2)13-22(34-29(39)23-15-18-19(32-23)8-6-9-24(18)40-3)28(38)33-21(14-17-11-12-31-27(17)37)26(36)30-35-20-7-4-5-10-25(20)41-30/h4-10,15-17,21-22,32H,11-14H2,1-3H3,(H,31,37)(H,33,38)(H,34,39)/t17-,21-,22-/m0/s1 | Definition date: | 2021-02-02 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | ~{N}-[(2~{S})-1-[[(2~{S})-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1~{H}-indole-2-carboxamide |
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![HZR HZR](https://data.pdbj.org/pdbjplus/data/cc/svg/HZR.svg) | HZR | Name: | 1-butyl-3-chloranyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one | Formula: | C20 H25 Cl N2 O | SMILES: | CCCCN1C=CC(=C(Cl)C1=O)N2CCC(CC2)c3ccccc3 | InChi: | InChI=1S/C20H25ClN2O/c1-2-3-12-23-15-11-18(19(21)20(23)24)22-13-9-17(10-14-22)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3 | Definition date: | 2021-03-05 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | 1-butyl-3-chloranyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one |
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![NL3 NL3](https://data.pdbj.org/pdbjplus/data/cc/svg/NL3.svg) | NL3 | Name: | 3-{[6-(7-chloro-1-benzothiophen-2-yl)-1H-indol-1-yl]methyl}-1H-pyrazole-5-carboxylic acid | Formula: | C21 H14 Cl N3 O2 S | SMILES: | O=C(O)c1cc(n[NH]1)Cn1ccc2ccc(cc21)c1cc2cccc(Cl)c2s1 | InChi: | InChI=1S/C21H14ClN3O2S/c22-16-3-1-2-14-9-19(28-20(14)16)13-5-4-12-6-7-25(18(12)8-13)11-15-10-17(21(26)27)24-23-15/h1-10H,11H2,(H,23,24)(H,26,27) | Definition date: | 2021-04-05 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | 3-{[6-(7-chloro-1-benzothiophen-2-yl)-1H-indol-1-yl]methyl}-1H-pyrazole-5-carboxylic acid |
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![AEU AEU](https://data.pdbj.org/pdbjplus/data/cc/svg/AEU.svg) | AEU | Name: | N-[(3-phenoxyphenyl)methyl]-9H-beta-carbolin-3-amine | Formula: | C24 H19 N3 O | SMILES: | c1c5c(cc(n1)NCc2cccc(c2)Oc3ccccc3)c4ccccc4n5 | InChi: | InChI=1S/C24H19N3O/c1-2-8-18(9-3-1)28-19-10-6-7-17(13-19)15-25-24-14-21-20-11-4-5-12-22(20)27-23(21)16-26-24/h1-14,16,27H,15H2,(H,25,26) | Definition date: | 2018-10-31 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | N-[(3-phenoxyphenyl)methyl]-9H-beta-carbolin-3-amine |
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![H8X H8X](https://data.pdbj.org/pdbjplus/data/cc/svg/H8X.svg) | H8X | Name: | N-[(2R)-3-carbazol-9-yl-2-oxidanyl-propyl]-N-(furan-2-ylmethyl)methanesulfonamide | Formula: | C21 H22 N2 O4 S | SMILES: | C[S](=O)(=O)N(C[CH](O)Cn1c2ccccc2c3ccccc13)Cc4occc4 | InChi: | InChI=1S/C21H22N2O4S/c1-28(25,26)22(15-17-7-6-12-27-17)13-16(24)14-23-20-10-4-2-8-18(20)19-9-3-5-11-21(19)23/h2-12,16,24H,13-15H2,1H3/t16-/m0/s1 | Definition date: | 2020-11-30 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | ~{N}-[(2~{R})-3-carbazol-9-yl-2-oxidanyl-propyl]-~{N}-(furan-2-ylmethyl)methanesulfonamide |
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![H9U H9U](https://data.pdbj.org/pdbjplus/data/cc/svg/H9U.svg) | H9U | Name: | (2R)-2-[[(2S)-2-[[(2R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]pentanedioic acid | Formula: | C27 H44 N4 O17 | SMILES: | C[CH](NC(=O)[CH](C)O[CH]1[CH](NC(C)=O)[CH](O)O[CH](CO)[CH]1O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2NC(C)=O)C(=O)N[CH](CCC(O)=O)C(O)=O | InChi: | InChI=1S/C27H44N4O17/c1-9(23(40)31-13(25(42)43)5-6-16(36)37)28-24(41)10(2)45-22-18(30-12(4)35)26(44)46-15(8-33)21(22)48-27-17(29-11(3)34)20(39)19(38)14(7-32)47-27/h9-10,13-15,17-22,26-27,32-33,38-39,44H,5-8H2,1-4H3,(H,28,41)(H,29,34)(H,30,35)(H,31,40)(H,36,37)(H,42,43)/t9-,10+,13+,14+,15+,17+,18+,19+,20+,21+,22+,26-,27-/m0/s1 | Definition date: | 2020-12-11 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | (2~{R})-2-[[(2~{S})-2-[[(2~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{S})-5-acetamido-3-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]pentanedioic acid |
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![HG0 HG0](https://data.pdbj.org/pdbjplus/data/cc/svg/HG0.svg) | HG0 | Name: | N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-propan-2-yl-benzamide | Formula: | C12 H17 N3 O3 S | SMILES: | CC(C)c1ccc(cc1[S](C)(=O)=O)C(=O)N=C(N)N | InChi: | InChI=1S/C12H17N3O3S/c1-7(2)9-5-4-8(11(16)15-12(13)14)6-10(9)19(3,17)18/h4-7H,1-3H3,(H4,13,14,15,16) | Definition date: | 2021-01-07 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | ~{N}-[bis(azanyl)methylidene]-3-methylsulfonyl-4-propan-2-yl-benzamide |
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![JOR JOR](https://data.pdbj.org/pdbjplus/data/cc/svg/JOR.svg) | JOR | Name: | 5-fluoranyl-2-(methylsulfonylamino)benzoic acid | Formula: | C8 H8 F N O4 S | SMILES: | C[S](=O)(=O)Nc1ccc(F)cc1C(O)=O | InChi: | InChI=1S/C8H8FNO4S/c1-15(13,14)10-7-3-2-5(9)4-6(7)8(11)12/h2-4,10H,1H3,(H,11,12) | Definition date: | 2020-06-10 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | 5-fluoranyl-2-(methylsulfonylamino)benzoic acid |
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![V41 V41](https://data.pdbj.org/pdbjplus/data/cc/svg/V41.svg) | V41 | Name: | (2R,3Z)-3-amino-3-imino-2-[(E)-phenyldiazenyl]propanamide | Formula: | C9 H11 N5 O | SMILES: | N(=N/C(C(N)=O)/C(N)=N)c1ccccc1 | InChi: | InChI=1S/C9H11N5O/c10-8(11)7(9(12)15)14-13-6-4-2-1-3-5-6/h1-5,7H,(H3,10,11)(H2,12,15)/b14-13+/t7-/m1/s1 | Definition date: | 2020-06-22 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | (2R,3Z)-3-amino-3-imino-2-[(E)-phenyldiazenyl]propanamide |
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![YXD YXD](https://data.pdbj.org/pdbjplus/data/cc/svg/YXD.svg) | YXD | Name: | N-{5-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl}-6-(1-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide | Formula: | C23 H25 F3 N6 O2 | SMILES: | Cn1cc(cn1)c1nc(ccc1)C(=O)Nc1cc(cnc1C(F)(F)F)N1CCC(C1)C(C)(C)O | InChi: | InChI=1S/C23H25F3N6O2/c1-22(2,34)15-7-8-32(13-15)16-9-19(20(27-11-16)23(24,25)26)30-21(33)18-6-4-5-17(29-18)14-10-28-31(3)12-14/h4-6,9-12,15,34H,7-8,13H2,1-3H3,(H,30,33)/t15-/m0/s1 | Definition date: | 2021-04-05 | Last modified: | 2021-06-11 | Release date: | 2021-06-16 | Identifier: | N-{5-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl}-6-(1-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide |
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![YP1 YP1](https://data.pdbj.org/pdbjplus/data/cc/svg/YP1.svg) | YP1 | Name: | 2-chloro-6-[(2R)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile | Formula: | C24 H25 Cl N2 O2 | SMILES: | N#Cc1c(cccc1Cl)OCC(O)CNC(C)(C)Cc1cc2ccccc2cc1 | InChi: | InChI=1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1 | Definition date: | 2021-03-18 | Last modified: | 2021-06-11 | Release date: | 2021-06-16 | Identifier: | 2-chloro-6-[(2R)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile |
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![ZB4 ZB4](https://data.pdbj.org/pdbjplus/data/cc/svg/ZB4.svg) | ZB4 | Name: | N-{(1S,2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide | Formula: | C23 H31 N3 O3 S | SMILES: | O=S(=O)(NC1CCCCC1N1CCN(CC1)c1ccccc1OC)c1ccccc1 | InChi: | InChI=1S/C23H31N3O3S/c1-29-23-14-8-7-13-22(23)26-17-15-25(16-18-26)21-12-6-5-11-20(21)24-30(27,28)19-9-3-2-4-10-19/h2-4,7-10,13-14,20-21,24H,5-6,11-12,15-18H2,1H3/t20-,21-/m0/s1 | Definition date: | 2021-04-13 | Last modified: | 2021-06-11 | Release date: | 2021-06-16 | Identifier: | N-{(1S,2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide |
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![YSY YSY](https://data.pdbj.org/pdbjplus/data/cc/svg/YSY.svg) | YSY | Name: | 4-[(4R,5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile | Formula: | C13 H10 F N3 | SMILES: | N#Cc1ccc(C2CCc3cncn32)c(F)c1 | InChi: | InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1 | Synonyms: | Osilodrostat | Definition date: | 2021-03-31 | Last modified: | 2021-06-11 | Release date: | 2021-06-16 | Identifier: | 4-[(4R,5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile |
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![ZGS ZGS](https://data.pdbj.org/pdbjplus/data/cc/svg/ZGS.svg) | ZGS | Name: | [(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] (9~{Z},12~{Z},15~{Z})-octadeca-9,12,15-trienoate | Formula: | C26 H49 N O7 P | SMILES: | C[N+](C)(C)CCOP(O)(=O)OCC(O)COC(=O)CCCCCCC/C=CC/C=CC/C=CCC | InChi: | InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3/p+1/b7-6-,10-9-,13-12-/t25-/m1/s1 | Synonyms: | LysoPC(18:3(9Z,12Z,15Z)) | Definition date: | 2021-04-21 | Last modified: | 2021-06-11 | Release date: | 2021-06-16 | Identifier: | (4S,7R,18Z,21Z,24Z)-4,7-dihydroxy-N,N,N-trimethyl-4,10-dioxo-3,5,9-trioxa-4lambda~5~-phosphaheptacosa-18,21,24-trien-1-aminium |
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![J6C J6C](https://data.pdbj.org/pdbjplus/data/cc/svg/J6C.svg) | J6C | Name: | Miltiradiene | Formula: | C20 H32 | SMILES: | CC(C)C1=CCC2=C(CC[CH]3C(C)(C)CCC[C]23C)C1 | InChi: | InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,14,18H,6,8-13H2,1-5H3/t18-,20+/m0/s1 | Synonyms: | (4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-1,4,5,6,7,8a,9,10-octahydrophenanthrene | Definition date: | 2021-04-13 | Last modified: | 2021-06-11 | Release date: | 2021-06-16 | Identifier: | (4~{b}~{S},8~{a}~{S})-4~{b},8,8-trimethyl-2-propan-2-yl-1,4,5,6,7,8~{a},9,10-octahydrophenanthrene |
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![WU4 WU4](https://data.pdbj.org/pdbjplus/data/cc/svg/WU4.svg) | WU4 | Name: | (6aR,7aS,11S,13aS)-6,6,11-trimethyl-4-(3-methylbut-2-en-1-yl)-6,6a,7,8,9,10,11,14-octahydro-5H,13H-13a,7a-(epiminomethano)quinolizino[2,3-b]carbazol-16-one | Formula: | C28 H37 N3 O | SMILES: | N2C(=O)C51N(C(CCC1)C)CC24Cc6c3c(c(ccc3)CC=C(/C)C)nc6C(C)(C)C4C5 | InChi: | InChI=1S/C28H37N3O/c1-17(2)11-12-19-9-6-10-20-21-14-27-16-31-18(3)8-7-13-28(31,25(32)30-27)15-22(27)26(4,5)24(21)29-23(19)20/h6,9-11,18,22,29H,7-8,12-16H2,1-5H3,(H,30,32)/t18-,22+,27+,28-/m0/s1 | Definition date: | 2020-11-13 | Last modified: | 2021-06-11 | Release date: | 2021-06-16 | Identifier: | (6aR,7aS,11S,13aS)-6,6,11-trimethyl-4-(3-methylbut-2-en-1-yl)-6,6a,7,8,9,10,11,14-octahydro-5H,13H-13a,7a-(epiminomethano)quinolizino[2,3-b]carbazol-16-one |
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![WZG WZG](https://data.pdbj.org/pdbjplus/data/cc/svg/WZG.svg) | WZG | Name: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(methylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl dihydrogen diphosphate (non-preferred name) | Formula: | C22 H38 N7 O16 P3 S | SMILES: | n2cnc1n(cnc1c2N)C3C(C(C(O3)COP(O)(=O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(NCCSC)=O)OP(O)(=O)O)O | InChi: | InChI=1S/C22H38N7O16P3S/c1-22(2,17(32)20(33)25-5-4-13(30)24-6-7-49-3)9-42-48(39,40)45-47(37,38)41-8-12-16(44-46(34,35)36)15(31)21(43-12)29-11-28-14-18(23)26-10-27-19(14)29/h10-12,15-17,21,31-32H,4-9H2,1-3H3,(H,24,30)(H,25,33)(H,37,38)(H,39,40)(H2,23,26,27)(H2,34,35,36)/t12-,15-,16-,17+,21-/m1/s1 | Definition date: | 2020-11-19 | Last modified: | 2021-06-11 | Release date: | 2021-06-16 | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(methylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl dihydrogen diphosphate (non-preferred name) |
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