![A1ID8 A1ID8](https://data.pdbj.org/pdbjplus/data/cc/svg/A1ID8.svg) | A1ID8 | Name: | (1~{S})-2-[4-[[4-bromanyl-3,5-bis(fluoranyl)phenyl]methylamino]cyclohexyl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol | Formula: | C24 H26 Br F2 N3 O2 | SMILES: | COc1ccc2nccc([CH](O)C[CH]3CC[CH](CC3)NCc4cc(F)c(Br)c(F)c4)c2n1 | InChi: | InChI=1S/C24H26BrF2N3O2/c1-32-22-7-6-20-24(30-22)17(8-9-28-20)21(31)12-14-2-4-16(5-3-14)29-13-15-10-18(26)23(25)19(27)11-15/h6-11,14,16,21,29,31H,2-5,12-13H2,1H3/t14-,16-,21-/m0/s1 | Definition date: | 2024-06-13 | Last modified: | 2024-08-02 | Release date: | 2024-08-07 | Identifier: | (1~{S})-2-[4-[[4-bromanyl-3,5-bis(fluoranyl)phenyl]methylamino]cyclohexyl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol |
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![OBX OBX](https://data.pdbj.org/pdbjplus/data/cc/svg/OBX.svg) | OBX | Name: | [(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-2-(4-carbamimidamidobutylamino)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | Formula: | C14 H27 N7 O7 P | SMILES: | NC(=N)NCCCCNc1nc(N)cc[n+]1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O | InChi: | InChI=1S/C14H26N7O7P/c15-9-3-6-21(14(20-9)19-5-2-1-4-18-13(16)17)12-11(23)10(22)8(28-12)7-27-29(24,25)26/h3,6,8,10-12,22-23H,1-2,4-5,7H2,(H8,15,16,17,18,19,20,24,25,26)/p+1/t8-,10-,11-,12-/m1/s1 | Synonyms: | agmatidine | Definition date: | 2023-01-30 | Last modified: | 2024-03-29 | Release date: | 2024-04-03 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-2-(4-carbamimidamidobutylamino)pyrimidin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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![9UJ 9UJ](https://data.pdbj.org/pdbjplus/data/cc/svg/9UJ.svg) | 9UJ | Name: | (2R,4R)-2-(2-chlorophenyl)-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbonyl-1,3-thiazolidine-4-carboxylic acid | Formula: | C22 H19 Cl N2 O4 S | SMILES: | Cc1onc(C)c1c2ccc(cc2)C(=O)N3[CH](CS[CH]3c4ccccc4Cl)C(O)=O | InChi: | InChI=1S/C22H19ClN2O4S/c1-12-19(13(2)29-24-12)14-7-9-15(10-8-14)20(26)25-18(22(27)28)11-30-21(25)16-5-3-4-6-17(16)23/h3-10,18,21H,11H2,1-2H3,(H,27,28)/t18-,21+/m0/s1 | Synonyms: | TUG-1375 | Definition date: | 2023-04-20 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | (2~{R},4~{R})-2-(2-chlorophenyl)-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbonyl-1,3-thiazolidine-4-carboxylic acid |
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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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![SRC SRC](https://data.pdbj.org/pdbjplus/data/cc/svg/SRC.svg) | SRC | Name: | [[(2~{R},3~{S},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Formula: | C11 H20 N5 O14 P3 | SMILES: | CN1CN([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)N | InChi: | InChI=1S/C11H20N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7+,10-/m1/s1 | Definition date: | 2022-12-19 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | [[(2~{R},3~{S},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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![Q8Y Q8Y](https://data.pdbj.org/pdbjplus/data/cc/svg/Q8Y.svg) | Q8Y | Name: | N-(3-phenylpropyl)adenosine | Formula: | C19 H23 N5 O4 | SMILES: | OCC1OC(n2cnc3c(NCCCc4ccccc4)ncnc32)C(O)C1O | InChi: | InChI=1S/C19H23N5O4/c25-9-13-15(26)16(27)19(28-13)24-11-23-14-17(21-10-22-18(14)24)20-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,10-11,13,15-16,19,25-27H,4,7-9H2,(H,20,21,22)/t13-,15-,16-,19-/m1/s1 | Definition date: | 2022-06-01 | Last modified: | 2023-01-06 | Release date: | 2023-01-11 | Identifier: | N-(3-phenylpropyl)adenosine |
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![W4H W4H](https://data.pdbj.org/pdbjplus/data/cc/svg/W4H.svg) | W4H | Name: | N-[(1S)-1-cyanopropyl]benzamide | Formula: | C11 H12 N2 O | SMILES: | O=C(NC(C#N)CC)c1ccccc1 | InChi: | InChI=1S/C11H12N2O/c1-2-10(8-12)13-11(14)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3,(H,13,14)/t10-/m0/s1 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | N-[(1S)-1-cyanopropyl]benzamide |
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![5RJ 5RJ](https://data.pdbj.org/pdbjplus/data/cc/svg/5RJ.svg) | 5RJ | Name: | 5-methyl-3-[(2-methylphenyl)methyl]-6-[(1~{R},2~{S})-2-oxidanyl-6-oxidanylidene-cyclohexyl]carbonyl-1,2,3-benzotriazin-4-one | Formula: | C23 H23 N3 O4 | SMILES: | Cc1ccccc1CN2N=Nc3ccc(c(C)c3C2=O)C(=O)[CH]4[CH](O)CCCC4=O | InChi: | InChI=1S/C23H23N3O4/c1-13-6-3-4-7-15(13)12-26-23(30)20-14(2)16(10-11-17(20)24-25-26)22(29)21-18(27)8-5-9-19(21)28/h3-4,6-7,10-11,18,21,27H,5,8-9,12H2,1-2H3/t18-,21+/m0/s1 | Definition date: | 2021-08-24 | Last modified: | 2022-08-19 | Release date: | 2022-08-24 | Identifier: | 5-methyl-3-[(2-methylphenyl)methyl]-6-[(1~{R},2~{S})-2-oxidanyl-6-oxidanylidene-cyclohexyl]carbonyl-1,2,3-benzotriazin-4-one |
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![YJ1 YJ1](https://data.pdbj.org/pdbjplus/data/cc/svg/YJ1.svg) | YJ1 | Name: | N-[(1r,4r)-4-(beta-alanylamino)cyclohexyl]-7-methyl-1H-indole-2-carboxamide | Formula: | C19 H26 N4 O2 | SMILES: | NCCC(=O)NC1CCC(CC1)NC(=O)c1cc2cccc(C)c2[NH]1 | InChi: | InChI=1S/C19H26N4O2/c1-12-3-2-4-13-11-16(23-18(12)13)19(25)22-15-7-5-14(6-8-15)21-17(24)9-10-20/h2-4,11,14-15,23H,5-10,20H2,1H3,(H,21,24)(H,22,25)/t14-,15- | Definition date: | 2021-03-10 | Last modified: | 2021-09-17 | Release date: | 2021-09-22 | Identifier: | N-[(1r,4r)-4-(beta-alanylamino)cyclohexyl]-7-methyl-1H-indole-2-carboxamide |
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![Q4Z Q4Z](https://data.pdbj.org/pdbjplus/data/cc/svg/Q4Z.svg) | Q4Z | Name: | [(3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-methyl-6,7-bis(oxidanyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]oxazol-1-ium-5-yl]methyl sulfate | Formula: | C8 H13 N O8 S | SMILES: | CC1=[NH+][CH]2[CH](O)[CH](O)[CH](CO[S]([O-])(=O)=O)O[CH]2O1 | InChi: | InChI=1S/C8H13NO8S/c1-3-9-5-7(11)6(10)4(17-8(5)16-3)2-15-18(12,13)14/h4-8,10-11H,2H2,1H3,(H,12,13,14)/t4-,5-,6-,7-,8+/m1/s1 | Definition date: | 2020-05-12 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | [(3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-methyl-6,7-bis(oxidanyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]oxazol-1-ium-5-yl]methyl sulfate |
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![YFG YFG](https://data.pdbj.org/pdbjplus/data/cc/svg/YFG.svg) | YFG | Name: | 7-(cyclopentylamino)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one | Formula: | C20 H26 F N3 O2 S | SMILES: | C1CC(CCC1SCC3=Nc2cc(cc(c2C(N3)=O)F)NC4CCCC4)O | InChi: | InChI=1S/C20H26FN3O2S/c21-16-9-13(22-12-3-1-2-4-12)10-17-19(16)20(26)24-18(23-17)11-27-15-7-5-14(25)6-8-15/h9-10,12,14-15,22,25H,1-8,11H2,(H,23,24,26)/t14-,15- | Definition date: | 2021-02-24 | Last modified: | 2021-04-16 | Release date: | 2021-04-21 | Identifier: | 7-(cyclopentylamino)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one |
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![OZE OZE](https://data.pdbj.org/pdbjplus/data/cc/svg/OZE.svg) | OZE | Name: | (((R)-1-(((benzyloxy)carbonyl)amino)-2-phenylethyl)oxidophosphoryl)glycyl-L-leucinate | Formula: | C24 H32 N3 O7 P | SMILES: | CC(C)C[CH](NC(=O)CN[P](O)(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2)C(O)=O | InChi: | InChI=1S/C24H32N3O7P/c1-17(2)13-20(23(29)30)26-21(28)15-25-35(32,33)22(14-18-9-5-3-6-10-18)27-24(31)34-16-19-11-7-4-8-12-19/h3-12,17,20,22H,13-16H2,1-2H3,(H,26,28)(H,27,31)(H,29,30)(H2,25,32,33)/t20-,22+/m0/s1 | Synonyms: | (2~{S})-4-methyl-2-[2-[[oxidanyl-[(1~{R})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]p
entanoic acid | Definition date: | 2020-04-09 | Last modified: | 2021-04-16 | Release date: | 2021-04-21 | Identifier: | (2~{S})-4-methyl-2-[2-[[oxidanyl-[(1~{R})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]pentanoic acid |
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![OZH OZH](https://data.pdbj.org/pdbjplus/data/cc/svg/OZH.svg) | OZH | Name: | (2~{S})-4-methyl-2-[2-[[oxidanyl-[(1~{S})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]pentanoic acid | Formula: | C24 H32 N3 O7 P | SMILES: | CC(C)C[CH](NC(=O)CN[P](O)(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2)C(O)=O | InChi: | InChI=1S/C24H32N3O7P/c1-17(2)13-20(23(29)30)26-21(28)15-25-35(32,33)22(14-18-9-5-3-6-10-18)27-24(31)34-16-19-11-7-4-8-12-19/h3-12,17,20,22H,13-16H2,1-2H3,(H,26,28)(H,27,31)(H,29,30)(H2,25,32,33)/t20-,22-/m0/s1 | Definition date: | 2020-04-09 | Last modified: | 2021-04-16 | Release date: | 2021-04-21 | Identifier: | (2~{S})-4-methyl-2-[2-[[oxidanyl-[(1~{S})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]pentanoic acid |
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![PIU PIU](https://data.pdbj.org/pdbjplus/data/cc/svg/PIU.svg) | PIU | Name: | 1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM | Formula: | C16 H21 N2 O2 S | SMILES: | O=S(=O)(N)c1ccc(cc1)CC[n+]2c(cc(cc2C)C)C | InChi: | InChI=1S/C16H21N2O2S/c1-12-10-13(2)18(14(3)11-12)9-8-15-4-6-16(7-5-15)21(17,19)20/h4-7,10-11H,8-9H2,1-3H3,(H2,17,19,20)/q+1 | Synonyms: | 1-N-(4-SULFAMOYLPHENYL-ETHYL)-2,4,6-TRIMETHYLPYRIDINIUM | Definition date: | 2005-04-22 | Last modified: | 2021-03-13 | Identifier: | 2,4,6-trimethyl-1-[2-(4-sulfamoylphenyl)ethyl]pyridinium |
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![RIV RIV](https://data.pdbj.org/pdbjplus/data/cc/svg/RIV.svg) | RIV | Name: | 5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide | Formula: | C19 H18 Cl N3 O5 S | SMILES: | O=C(NCC3OC(=O)N(c2ccc(N1C(=O)COCC1)cc2)C3)c4sc(Cl)cc4 | InChi: | InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1 | Synonyms: | Rivaroxaban | Definition date: | 2008-10-24 | Last modified: | 2021-03-01 | Identifier: | 5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide |
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![SE8 SE8](https://data.pdbj.org/pdbjplus/data/cc/svg/SE8.svg) | SE8 | Name: | 5-[(2-{[(3S)-5-{[(2S)-2-amino-2-carboxyethyl]amino}-3-carboxy-3-hydroxy-5-oxopentanoyl]amino}ethyl)amino]-2,5-dioxopentanoic acid | Formula: | C16 H24 N4 O11 | SMILES: | O=C(NCC(C(=O)O)N)CC(O)(C(=O)O)CC(=O)NCCNC(=O)CCC(=O)C(=O)O | InChi: | InChI=1S/C16H24N4O11/c17-8(13(25)26)7-20-12(24)6-16(31,15(29)30)5-11(23)19-4-3-18-10(22)2-1-9(21)14(27)28/h8,31H,1-7,17H2,(H,18,22)(H,19,23)(H,20,24)(H,25,26)(H,27,28)(H,29,30)/t8-,16-/m0/s1 | Synonyms: | Staphyloferrin B | Definition date: | 2010-05-14 | Last modified: | 2021-03-01 | Identifier: | 5-[(2-{[(3S)-5-{[(2S)-2-amino-2-carboxyethyl]amino}-3-carboxy-3-hydroxy-5-oxopentanoyl]amino}ethyl)amino]-2,5-dioxopentanoic acid |
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![RAB RAB](https://data.pdbj.org/pdbjplus/data/cc/svg/RAB.svg) | RAB | Name: | 2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL | Formula: | C10 H13 N5 O4 | SMILES: | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N | InChi: | InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1 | Synonyms: | 9-BETA-D-ARABINOFURANOSYL-ADENINE | Definition date: | 2003-07-09 | Last modified: | 2021-03-01 | Identifier: | 9-beta-D-arabinofuranosyl-9H-purin-6-amine |
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![HS9 HS9](https://data.pdbj.org/pdbjplus/data/cc/svg/HS9.svg) | HS9 | Name: | N-ALPHA-METHYL-L-HISTIDINAMIDE | Formula: | C7 H12 N4 O | SMILES: | O=C(N)C(NC)Cc1ncnc1 | InChi: | InChI=1S/C7H12N4O/c1-9-6(7(8)12)2-5-3-10-4-11-5/h3-4,6,9H,2H2,1H3,(H2,8,12)(H,10,11)/t6-/m0/s1 | Synonyms: | N-METHYL-L-HISTIDINAMIDE | Definition date: | 2009-09-02 | Last modified: | 2021-03-01 | Identifier: | Nalpha-methyl-L-histidinamide |
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![HEJ HEJ](https://data.pdbj.org/pdbjplus/data/cc/svg/HEJ.svg) | HEJ | Name: | 9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine | Formula: | C10 H16 N5 O13 P3 | SMILES: | Nc1ncnc2c1ncn2C3OC(COP(O)(=O)OP(O)(=O)OP(O)(=O)O)C(O)C3O | InChi: | InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7+,10-/m1/s1 | Synonyms: | Vidarabine-TRIPHOSPHATE | Definition date: | 2018-06-27 | Last modified: | 2021-03-01 | Release date: | 2018-10-24 | Identifier: | 9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine |
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![UZG UZG](https://data.pdbj.org/pdbjplus/data/cc/svg/UZG.svg) | UZG | Name: | 2-[4-(3,4-dimethoxyphenoxy)phenyl]-1H-benzimidazole-6-carboximidamide | Formula: | C22 H20 N4 O3 | SMILES: | COc1c(OC)ccc(c1)Oc2ccc(cc2)c4nc3ccc(cc3n4)C(=N)N | InChi: | InChI=1S/C22H20N4O3/c1-27-19-10-8-16(12-20(19)28-2)29-15-6-3-13(4-7-15)22-25-17-9-5-14(21(23)24)11-18(17)26-22/h3-12H,1-2H3,(H3,23,24)(H,25,26) | Definition date: | 2020-06-08 | Last modified: | 2020-12-25 | Release date: | 2020-12-30 | Identifier: | 2-[4-(3,4-dimethoxyphenoxy)phenyl]-1H-benzimidazole-6-carboximidamide |
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![E0O E0O](https://data.pdbj.org/pdbjplus/data/cc/svg/E0O.svg) | E0O | Name: | 2-(4-chloranylphenoxy)-2-methyl-propanoic acid | Formula: | C10 H11 Cl O3 | SMILES: | CC(C)(Oc1ccc(Cl)cc1)C(O)=O | InChi: | InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13) | Definition date: | 2019-09-30 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | 2-(4-chloranylphenoxy)-2-methyl-propanoic acid |
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![D5T D5T](https://data.pdbj.org/pdbjplus/data/cc/svg/D5T.svg) | D5T | Name: | 1-[2-[4-[(4~{a}~{S},8~{a}~{R})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperi
din-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione | Formula: | C30 H38 N4 O6 | SMILES: | COc1ccc(cc1OC)C2=NN(C3CCN(CC3)C(=O)CN4C(=O)CC(C)(C)CC4=O)C(=O)[CH]5CC=CC[CH]25 | InChi: | InChI=1S/C30H38N4O6/c1-30(2)16-25(35)33(26(36)17-30)18-27(37)32-13-11-20(12-14-32)34-29(38)22-8-6-5-7-21(22)28(31-34)19-9-10-23(39-3)24(15-19)40-4/h5-6,9-10,15,20-22H,7-8,11-14,16-18H2,1-4H3/t21-,22+/m0/s1 | Synonyms: | NPD-226 | Definition date: | 2017-12-25 | Last modified: | 2020-06-17 | Release date: | 2019-04-10 | Identifier: | 1-[2-[4-[(4~{a}~{S},8~{a}~{R})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione |
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![O2H O2H](https://data.pdbj.org/pdbjplus/data/cc/svg/O2H.svg) | O2H | Name: | ~{N}-(4,4-dimethyl-2-propyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | Formula: | C31 H32 N4 O5 | SMILES: | CCCC1=Nc2ccc(NC(=O)Cc3ncc(Oc4ccnc5cc(OC)ccc45)cc3OC)cc2C(C)(C)O1 | InChi: | InChI=1S/C31H32N4O5/c1-6-7-30-35-24-11-8-19(14-23(24)31(2,3)40-30)34-29(36)17-26-28(38-5)16-21(18-33-26)39-27-12-13-32-25-15-20(37-4)9-10-22(25)27/h8-16,18H,6-7,17H2,1-5H3,(H,34,36) | Definition date: | 2020-01-21 | Last modified: | 2020-05-22 | Release date: | 2020-05-27 | Identifier: | ~{N}-(4,4-dimethyl-2-propyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide |
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![KWQ KWQ](https://data.pdbj.org/pdbjplus/data/cc/svg/KWQ.svg) | KWQ | Name: | (1~{S})-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole | Formula: | C15 H20 N2 | SMILES: | CC(C)C[CH]1NCCc2c1[nH]c3ccccc23 | InChi: | InChI=1S/C15H20N2/c1-10(2)9-14-15-12(7-8-16-14)11-5-3-4-6-13(11)17-15/h3-6,10,14,16-17H,7-9H2,1-2H3/t14-/m0/s1 | Definition date: | 2019-07-02 | Last modified: | 2020-04-03 | Release date: | 2020-04-08 | Identifier: | (1~{S})-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole |
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![HTZ HTZ](https://data.pdbj.org/pdbjplus/data/cc/svg/HTZ.svg) | HTZ | Name: | [6-chloranyl-3-[3-[[4-chloranyl-2-(hydroxymethyl)phenyl]methyl]-5-phenyl-imidazol-4-yl]-1~{H}-indol-2-yl]-[(3~{S})-3-[3-(dimethylamino)propyl-methyl-amino]pyrrolidin-1-yl]methanone | Formula: | C36 H40 Cl2 N6 O2 | SMILES: | CN(C)CCCN(C)[CH]1CCN(C1)C(=O)c2[nH]c3cc(Cl)ccc3c2c4n(Cc5ccc(Cl)cc5CO)cnc4c6ccccc6 | InChi: | InChI=1S/C36H40Cl2N6O2/c1-41(2)15-7-16-42(3)29-14-17-43(21-29)36(46)34-32(30-13-12-28(38)19-31(30)40-34)35-33(24-8-5-4-6-9-24)39-23-44(35)20-25-10-11-27(37)18-26(25)22-45/h4-6,8-13,18-19,23,29,40,45H,7,14-17,20-22H2,1-3H3/t29-/m0/s1 | Definition date: | 2018-12-19 | Last modified: | 2019-05-10 | Release date: | 2019-05-15 | Identifier: | [6-chloranyl-3-[3-[[4-chloranyl-2-(hydroxymethyl)phenyl]methyl]-5-phenyl-imidazol-4-yl]-1~{H}-indol-2-yl]-[(3~{S})-3-[3-(dimethylamino)propyl-methyl-amino]pyrrolidin-1-yl]methanone |
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