![DIX DIX](https://data.pdbj.org/pdbjplus/data/cc/svg/DIX.svg) | DIX | Name: | METHYL(CYCLOPENTYL-PROPYL)AMINE | Formula: | C9 H19 N | SMILES: | N(CCCC1CCCC1)C | InChi: | InChI=1S/C9H19N/c1-10-8-4-7-9-5-2-3-6-9/h9-10H,2-8H2,1H3 | Definition date: | 1999-07-08 | Last modified: | 2023-11-03 | Identifier: | 3-cyclopentyl-N-methylpropan-1-amine |
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![DJD DJD](https://data.pdbj.org/pdbjplus/data/cc/svg/DJD.svg) | DJD | Name: | 4-(6-methyl-1,2,4,5-tetrazin-3-yl)-L-phenylalanine | Formula: | C12 H13 N5 O2 | SMILES: | NC(Cc1ccc(cc1)c2nnc(C)nn2)C(O)=O | InChi: | InChI=1S/C12H13N5O2/c1-7-14-16-11(17-15-7)9-4-2-8(3-5-9)6-10(13)12(18)19/h2-5,10H,6,13H2,1H3,(H,18,19)/t10-/m0/s1 | Definition date: | 2017-10-26 | Last modified: | 2023-11-03 | Release date: | 2019-10-02 | Identifier: | 4-(6-methyl-1,2,4,5-tetrazin-3-yl)-L-phenylalanine |
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![QR5 QR5](https://data.pdbj.org/pdbjplus/data/cc/svg/QR5.svg) | QR5 | Name: | (2R)-2-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetamido]-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)propanamide | Formula: | C26 H25 Cl2 N5 O3 | SMILES: | Clc1ccc(cc1Cl)C(C)(NC(=O)CN1CCN(C2CC2)C1=O)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C26H25Cl2N5O3/c1-26(17-6-9-20(27)21(28)12-17,24(35)30-22-14-29-13-16-4-2-3-5-19(16)22)31-23(34)15-32-10-11-33(25(32)36)18-7-8-18/h2-6,9,12-14,18H,7-8,10-11,15H2,1H3,(H,30,35)(H,31,34)/t26-/m1/s1 | Definition date: | 2023-08-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (2R)-2-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetamido]-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)propanamide |
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![QRS QRS](https://data.pdbj.org/pdbjplus/data/cc/svg/QRS.svg) | QRS | Name: | (3S)-N-{(2R)-2-(3,4-dichlorophenyl)-1-[(isoquinolin-4-yl)amino]-1-oxopropan-2-yl}-1-methylpyrrolidine-3-carboxamide | Formula: | C24 H24 Cl2 N4 O2 | SMILES: | O=C(NC(C)(c1ccc(Cl)c(Cl)c1)C(=O)Nc1cncc2ccccc21)C1CCN(C)C1 | InChi: | InChI=1S/C24H24Cl2N4O2/c1-24(17-7-8-19(25)20(26)11-17,29-22(31)16-9-10-30(2)14-16)23(32)28-21-13-27-12-15-5-3-4-6-18(15)21/h3-8,11-13,16H,9-10,14H2,1-2H3,(H,28,32)(H,29,31)/t16-,24+/m0/s1 | Definition date: | 2023-08-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (3S)-N-{(2R)-2-(3,4-dichlorophenyl)-1-[(isoquinolin-4-yl)amino]-1-oxopropan-2-yl}-1-methylpyrrolidine-3-carboxamide |
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![QXR QXR](https://data.pdbj.org/pdbjplus/data/cc/svg/QXR.svg) | QXR | Name: | N-(4-tert-butoxypyridin-3-yl)-2-(3-chlorophenyl)acetamide | Formula: | C17 H19 Cl N2 O2 | SMILES: | O=C(Nc1cnccc1OC(C)(C)C)Cc1cccc(Cl)c1 | InChi: | InChI=1S/C17H19ClN2O2/c1-17(2,3)22-15-7-8-19-11-14(15)20-16(21)10-12-5-4-6-13(18)9-12/h4-9,11H,10H2,1-3H3,(H,20,21) | Definition date: | 2023-08-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | N-(4-tert-butoxypyridin-3-yl)-2-(3-chlorophenyl)acetamide |
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![QYR QYR](https://data.pdbj.org/pdbjplus/data/cc/svg/QYR.svg) | QYR | Name: | (4S)-6-chloro-2-(cyclopropanesulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | Formula: | C22 H20 Cl N3 O3 S | SMILES: | O=S(=O)(C1CC1)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C22H20ClN3O3S/c23-16-6-5-15-12-26(30(28,29)17-7-8-17)13-20(19(15)9-16)22(27)25-21-11-24-10-14-3-1-2-4-18(14)21/h1-6,9-11,17,20H,7-8,12-13H2,(H,25,27)/t20-/m1/s1 | Definition date: | 2023-08-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4S)-6-chloro-2-(cyclopropanesulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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![QYX QYX](https://data.pdbj.org/pdbjplus/data/cc/svg/QYX.svg) | QYX | Name: | 2-[4-[(4-hydroxyphenyl)methyl]-2-(3-methylsulfanylpropanimidoyl)-5-oxidanylidene-imidazol-1-ium-1-yl]ethanoic acid | Formula: | C16 H18 N3 O4 S | SMILES: | CSCCC(=N)C1=[N+](CC(O)=O)C(=O)C(=N1)Cc2ccc(O)cc2 | InChi: | InChI=1S/C16H17N3O4S/c1-24-7-6-12(17)15-18-13(16(23)19(15)9-14(21)22)8-10-2-4-11(20)5-3-10/h2-5,17H,6-9H2,1H3,(H-,20,21,22)/p+1/b17-12- | Synonyms: | CHROMOPHORE (MET-TYR-GLY) | Definition date: | 2022-11-18 | Last modified: | 2023-11-03 | Release date: | 2023-02-15 | Identifier: | 2-[4-[(4-hydroxyphenyl)methyl]-2-(3-methylsulfanylpropanimidoyl)-5-oxidanylidene-imidazol-1-ium-1-yl]ethanoic acid |
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![R4K R4K](https://data.pdbj.org/pdbjplus/data/cc/svg/R4K.svg) | R4K | Name: | (2S,3R)-2-azanyl-3-hydroxy-3-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]propanoic acid | Formula: | C11 H12 N2 O5 | SMILES: | O=C(O)C(N)C(O)C2(O)c1ccccc1NC2=O | InChi: | InChI=1S/C11H12N2O5/c12-7(9(15)16)8(14)11(18)5-3-1-2-4-6(5)13-10(11)17/h1-4,7-8,14,18H,12H2,(H,13,17)(H,15,16)/t7-,8+,11-/m0/s1 | Definition date: | 2011-03-25 | Last modified: | 2023-11-03 | Identifier: | (3R)-3-[(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-serine |
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![IKJ IKJ](https://data.pdbj.org/pdbjplus/data/cc/svg/IKJ.svg) | IKJ | Name: | (2~{S})-2-azanyl-3-[4-(1-boranyl-1$l^{5}-phospholan-1-yl)phenyl]propanoic acid | Formula: | C13 H21 B N O2 P | SMILES: | B[PH]1(CCCC1)c2ccc(C[CH](N)C(O)=O)cc2 | InChi: | InChI=1S/C13H21BNO2P/c14-18(7-1-2-8-18)11-5-3-10(4-6-11)9-12(15)13(16)17/h3-6,12,18H,1-2,7-9,14-15H2,(H,16,17)/t12-/m0/s1 | Synonyms: | P3F | Definition date: | 2022-07-07 | Last modified: | 2023-11-03 | Release date: | 2023-07-26 | Identifier: | (2~{S})-2-azanyl-3-[4-(1-boranyl-1$l^{5}-phospholan-1-yl)phenyl]propanoic acid |
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![ILY ILY](https://data.pdbj.org/pdbjplus/data/cc/svg/ILY.svg) | ILY | Name: | N~6~-propan-2-yl-L-lysine | Formula: | C9 H20 N2 O2 | SMILES: | O=C(O)C(N)CCCCNC(C)C | InChi: | InChI=1S/C9H20N2O2/c1-7(2)11-6-4-3-5-8(10)9(12)13/h7-8,11H,3-6,10H2,1-2H3,(H,12,13)/t8-/m0/s1 | Definition date: | 2012-12-12 | Last modified: | 2023-11-03 | Release date: | 2013-02-15 | Identifier: | N~6~-propan-2-yl-L-lysine |
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![IOY IOY](https://data.pdbj.org/pdbjplus/data/cc/svg/IOY.svg) | IOY | Name: | P-IODO-D-PHENYLALANINE | Formula: | C9 H10 I N O2 | SMILES: | Ic1ccc(cc1)CC(C(=O)O)N | InChi: | InChI=1S/C9H10INO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1 | Synonyms: | 4-IODOPHENYLALANINE | Definition date: | 2004-09-14 | Last modified: | 2023-11-03 | Identifier: | 4-iodo-D-phenylalanine |
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![IPG IPG](https://data.pdbj.org/pdbjplus/data/cc/svg/IPG.svg) | IPG | Name: | N-ISOPROPYL GLYCINE | Formula: | C5 H11 N O2 | SMILES: | O=C(O)CNC(C)C | InChi: | InChI=1S/C5H11NO2/c1-4(2)6-3-5(7)8/h4,6H,3H2,1-2H3,(H,7,8) | Definition date: | 1999-07-08 | Last modified: | 2023-11-03 | Identifier: | N-(1-methylethyl)glycine |
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![R7F R7F](https://data.pdbj.org/pdbjplus/data/cc/svg/R7F.svg) | R7F | Name: | (4R)-6-chloro-N-[6-(2-hydroxypropan-2-yl)isoquinolin-4-yl]-1,2,3,4-tetrahydroquinoline-4-carboxamide | Formula: | C22 H22 Cl N3 O2 | SMILES: | CC(C)(O)c1cc2c(cc1)cncc2NC(=O)C1CCNc2ccc(Cl)cc21 | InChi: | InChI=1S/C22H22ClN3O2/c1-22(2,28)14-4-3-13-11-24-12-20(17(13)9-14)26-21(27)16-7-8-25-19-6-5-15(23)10-18(16)19/h3-6,9-12,16,25,28H,7-8H2,1-2H3,(H,26,27)/t16-/m1/s1 | Definition date: | 2023-08-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4R)-6-chloro-N-[6-(2-hydroxypropan-2-yl)isoquinolin-4-yl]-1,2,3,4-tetrahydroquinoline-4-carboxamide |
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![RE0 RE0](https://data.pdbj.org/pdbjplus/data/cc/svg/RE0.svg) | RE0 | Name: | 3-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine | Formula: | C11 H12 N2 O4 | SMILES: | O=C(O)C(N)CC2(O)c1ccccc1NC2=O | InChi: | InChI=1S/C11H12N2O4/c12-7(9(14)15)5-11(17)6-3-1-2-4-8(6)13-10(11)16/h1-4,7,17H,5,12H2,(H,13,16)(H,14,15)/t7-,11+/m0/s1 | Definition date: | 2011-02-03 | Last modified: | 2023-11-03 | Identifier: | 3-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine |
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![RE3 RE3](https://data.pdbj.org/pdbjplus/data/cc/svg/RE3.svg) | RE3 | Name: | 3-[(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine | Formula: | C11 H12 N2 O4 | SMILES: | O=C(O)C(N)CC2(O)c1ccccc1NC2=O | InChi: | InChI=1S/C11H12N2O4/c12-7(9(14)15)5-11(17)6-3-1-2-4-8(6)13-10(11)16/h1-4,7,17H,5,12H2,(H,13,16)(H,14,15)/t7-,11-/m0/s1 | Definition date: | 2011-02-03 | Last modified: | 2023-11-03 | Identifier: | 3-[(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine |
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![REU REU](https://data.pdbj.org/pdbjplus/data/cc/svg/REU.svg) | REU | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | Formula: | C23 H23 Cl N4 O2 | SMILES: | CNC(=O)C(C)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C23H23ClN4O2/c1-14(22(29)25-2)28-12-16-7-8-17(24)9-19(16)20(13-28)23(30)27-21-11-26-10-15-5-3-4-6-18(15)21/h3-11,14,20H,12-13H2,1-2H3,(H,25,29)(H,27,30)/t14-,20+/m0/s1 | Definition date: | 2023-08-22 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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![RF9 RF9](https://data.pdbj.org/pdbjplus/data/cc/svg/RF9.svg) | RF9 | Name: | N~6~-[(1R)-1-carboxyethyl]-L-lysine | Formula: | C9 H18 N2 O4 | SMILES: | NC(CCCCNC(C)C(O)=O)C(O)=O | InChi: | InChI=1S/C9H18N2O4/c1-6(8(12)13)11-5-3-2-4-7(10)9(14)15/h6-7,11H,2-5,10H2,1H3,(H,12,13)(H,14,15)/t6-,7+/m1/s1 | Definition date: | 2019-02-05 | Last modified: | 2023-11-03 | Release date: | 2019-02-27 | Identifier: | N~6~-[(1R)-1-carboxyethyl]-L-lysine |
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![RG9 RG9](https://data.pdbj.org/pdbjplus/data/cc/svg/RG9.svg) | RG9 | Name: | 2-(3-chlorophenyl)-N-[7-(2-hydroxypropan-2-yl)isoquinolin-4-yl]acetamide | Formula: | C20 H19 Cl N2 O2 | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)C(C)(C)O | InChi: | InChI=1S/C20H19ClN2O2/c1-20(2,25)15-6-7-17-14(10-15)11-22-12-18(17)23-19(24)9-13-4-3-5-16(21)8-13/h3-8,10-12,25H,9H2,1-2H3,(H,23,24) | Definition date: | 2023-08-22 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 2-(3-chlorophenyl)-N-[7-(2-hydroxypropan-2-yl)isoquinolin-4-yl]acetamide |
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![RRU RRU](https://data.pdbj.org/pdbjplus/data/cc/svg/RRU.svg) | RRU | Name: | 1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile | Formula: | C26 H23 Cl N4 O3 S | SMILES: | N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(CCN(C2=O)c2cncc3ccccc32)C1 | InChi: | InChI=1S/C26H23ClN4O3S/c27-20-6-5-19-14-30(35(33,34)17-25(15-28)7-8-25)16-26(22(19)11-20)9-10-31(24(26)32)23-13-29-12-18-3-1-2-4-21(18)23/h1-6,11-13H,7-10,14,16-17H2/t26-/m1/s1 | Definition date: | 2023-08-22 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile |
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![RS6 RS6](https://data.pdbj.org/pdbjplus/data/cc/svg/RS6.svg) | RS6 | Name: | (4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | Formula: | C24 H22 Cl F N4 O3 | SMILES: | Fc1ccc2c(c1)cncc2NC(=O)C1CN(CC(=O)NC(C)C)C(=O)c2ccc(Cl)cc21 | InChi: | InChI=1S/C24H22ClFN4O3/c1-13(2)28-22(31)12-30-11-20(19-8-15(25)3-5-18(19)24(30)33)23(32)29-21-10-27-9-14-7-16(26)4-6-17(14)21/h3-10,13,20H,11-12H2,1-2H3,(H,28,31)(H,29,32)/t20-/m1/s1 | Definition date: | 2023-08-22 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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![RVJ RVJ](https://data.pdbj.org/pdbjplus/data/cc/svg/RVJ.svg) | RVJ | Name: | 3-triazan-1-yl-L-alanine | Formula: | C3 H10 N4 O2 | SMILES: | NC(CNNN)C(=O)O | InChi: | InChI=1S/C3H10N4O2/c4-2(3(8)9)1-6-7-5/h2,6-7H,1,4-5H2,(H,8,9)/t2-/m0/s1 | Definition date: | 2020-02-26 | Last modified: | 2023-11-03 | Release date: | 2020-07-01 | Identifier: | 3-triazan-1-yl-L-alanine |
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![W9C W9C](https://data.pdbj.org/pdbjplus/data/cc/svg/W9C.svg) | W9C | Name: | (1S,3S,3aR,4S,4aR,7R,7aR,8aS)-8a-{[(6-deoxy-4-O-methyl-alpha-D-altropyranosyl)oxy]methyl}-4-formyl-7-methyl-3-(propan-2-yl)decahydro-1,4-methano-s-indacene-3a(1H)-carboxylate | Formula: | C27 H41 O8 | SMILES: | CC(C)C1CC2CC3(C=O)C4CCC(C)C4CC2(COC2OC(C)C(OC)C(O)C2O)C13C([O-])=O | InChi: | InChI=1S/C27H42O8/c1-13(2)19-8-16-9-25(11-28)18-7-6-14(3)17(18)10-26(16,27(19,25)24(31)32)12-34-23-21(30)20(29)22(33-5)15(4)35-23/h11,13-23,29-30H,6-10,12H2,1-5H3,(H,31,32)/p-1/t14-,15-,16+,17-,18-,19+,20+,21+,22-,23+,25+,26+,27+/m1/s1 | Definition date: | 2023-09-27 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | (1S,3S,3aR,4S,4aR,7R,7aR,8aS)-8a-{[(6-deoxy-4-O-methyl-alpha-D-altropyranosyl)oxy]methyl}-4-formyl-7-methyl-3-(propan-2-yl)decahydro-1,4-methano-s-indacene-3a(1H)-carboxylate |
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![ZWW ZWW](https://data.pdbj.org/pdbjplus/data/cc/svg/ZWW.svg) | ZWW | Name: | 3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid | Formula: | C50 H57 N5 O20 | SMILES: | Cc1[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]c(Cc5[nH]cc(CCC(O)=O)c5CC(O)=O)c(CCC(O)=O)c4CC(O)=O)c(CCC(O)=O)c3CC(O)=O)c(CCC(O)=O)c2CC(O)=O)c(CCC(O)=O)c1CC(O)=O | InChi: | InChI=1S/C50H57N5O20/c1-22-28(12-46(66)67)24(3-8-42(58)59)34(52-22)18-38-31(15-49(72)73)26(5-10-44(62)63)36(54-38)20-40-32(16-50(74)75)27(6-11-45(64)65)37(55-40)19-39-30(14-48(70)71)25(4-9-43(60)61)35(53-39)17-33-29(13-47(68)69)23(21-51-33)2-7-41(56)57/h21,51-55H,2-20H2,1H3,(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75) | Definition date: | 2023-07-06 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid |
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![ZXH ZXH](https://data.pdbj.org/pdbjplus/data/cc/svg/ZXH.svg) | ZXH | Name: | N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)cyclopropanecarboxamide | Formula: | C23 H28 Cl N3 O3 | SMILES: | OC1COCC1(C)N1CCC(CC1)c1cc2cc(NC(=O)C3CC3)ncc2cc1Cl | InChi: | InChI=1S/C23H28ClN3O3/c1-23(13-30-12-20(23)28)27-6-4-14(5-7-27)18-8-16-10-21(26-22(29)15-2-3-15)25-11-17(16)9-19(18)24/h8-11,14-15,20,28H,2-7,12-13H2,1H3,(H,25,26,29)/t20-,23+/m0/s1 | Definition date: | 2023-04-17 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)cyclopropanecarboxamide |
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![ZXL ZXL](https://data.pdbj.org/pdbjplus/data/cc/svg/ZXL.svg) | ZXL | Name: | (1S,2S)-N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide | Formula: | C27 H32 Cl N5 O3 | SMILES: | OC1COCC1(C)N1CCC(CC1)c1cc2cc(NC(=O)C3CC3c3cn(C)nc3)ncc2cc1Cl | InChi: | InChI=1S/C27H32ClN5O3/c1-27(15-36-14-24(27)34)33-5-3-16(4-6-33)21-7-17-9-25(29-11-18(17)8-23(21)28)31-26(35)22-10-20(22)19-12-30-32(2)13-19/h7-9,11-13,16,20,22,24,34H,3-6,10,14-15H2,1-2H3,(H,29,31,35)/t20-,22+,24+,27-/m1/s1 | Definition date: | 2023-04-17 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | (1S,2S)-N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide |
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