Ligand Information
Ligand General Information | Top | |||
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Ligand ID |
LB0SH1
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Ligand Name |
Elexacaftor
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Synonyms |
Elexacaftor; 2216712-66-0; VX-445; Elexacaftor [USAN]; RRN67GMB0V; Elexacaftor (USAN); (S)-N-((1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl)-6-(3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)nicotinamide; 3-Pyridinecarboxamide, N-((1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl)-6-(3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl)-2-((4S)-2,2,4-trimethyl-1-pyrrolidinyl)-; N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide; (6P)-N-(1,3-dimethyl-1H-pyrazole-4-sulfonyl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide; WJX; ELEXACAFTOR [MI]; UNII-RRN67GMB0V; ELEXACAFTOR [INN]; Elexacaftor (VX-445); ELEXACAFTOR [WHO-DD]; Elexacaftor/Ivacaftor/Tezacaftor; CHEMBL4298128; SCHEMBL20239811; GTPL10552; ELEXACAFTOR [ORANGE BOOK]; DTXSID901027907; EX-A3637; s8851; TRIKAFTA COMPONENT ELEXACAFTOR; VX-445VX-445; WHO 11180; AT16051; DB15444; ELEXACAFTOR COMPONENT OF TRIKAFTA; Compound 1 [WO2018107100A1]; AC-36746; HY-111772; CS-0090942; D11507; A930250; N-(1,3-Dimethyl-1H-pyrazole-4-sulfonyl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
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Structure |
Download2D MOL |
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Formula |
C26H34F3N7O4S
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Canonical SMILES |
CC1CC(N(C1)C2=C(C=CC(=N2)N3C=CC(=N3)OCC(C)(C)C(F)(F)F)C(=O)NS(=O)(=O)C4=CN(N=C4C)C)(C)C
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InChI |
1S/C26H34F3N7O4S/c1-16-12-25(5,6)35(13-16)22-18(23(37)33-41(38,39)19-14-34(7)31-17(19)2)8-9-20(30-22)36-11-10-21(32-36)40-15-24(3,4)26(27,28)29/h8-11,14,16H,12-13,15H2,1-7H3,(H,33,37)/t16-/m0/s1
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InChIKey |
MVRHVFSOIWFBTE-INIZCTEOSA-N
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PubChem Compound ID |
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