Idx 320
(1S,4R,6S,7Z,18S)-18-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-4-yl]oxy-13-methyl-N-(1-methylcyclopropyl)sulfonyl-2,14-dioxo-3,13,15-triazatricyclo[13.4.0.04,6]nonadec-7-ene-4-carboxamide
Molecular Identity
Idx 320
(1S,4R,6S,7Z,18S)-18-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-4-yl]oxy-13-methyl-N-(1-methylcyclopropyl)sulfonyl-2,14-dioxo-3,13,15-triazatricyclo[13.4.0.04,6]nonadec-7-ene-4-carboxamide
PubChem CID: 46917099
2D Structure
Properties
C37H43F3N6O7S2
Molecular Formula
804.90
Molecular Weight
g/mol
804.2587
Exact Mass
Da
4.9
XLogP
Drug-like (Lipinski: < 5)
197
TPSA
May have limited oral absorption
2
H-Bond Donors
13
H-Bond Acceptors
1610
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C=CC2=C1N=C(C=C2OC3CCN4C(C3)C(=O)NC5(CC5C=CCCCCN(C4=O)C)C(=O)NS(=O)(=O)C6(CC6)C)C7=NC(=CS7)C(F)(F)F)OCIsomeric SMILES
SMILES: CC1=C(C=CC2=C1N=C(C=C2O[C@H]3CCN4[C@@H](C3)C(=O)N[C@@]5(C[C@H]5/C=C\CCCCN(C4=O)C)C(=O)NS(=O)(=O)C6(CC6)C)C7=NC(=CS7)C(F)(F)F)OCSynonyms(14)
LOV58XHF8IIDX-320IDX320IDX 3201251165-81-7DTXSID60154659RefChem:201222DTXCID4077150UNII-LOV58XHF8ISCHEMBL3066637CHEMBL4578681SCHEMBL29551986Q27283103(2S,13aS,14aR,16aS,Z)-2-((7-Methoxy-8-methyl-2-(4-(trifluoromethyl)thiazol-2-yl)quinolin-4-yl)oxy)-7-methyl-N-((1-methylcyclopropyl)sulfonyl)-6,16-dioxo-1,3,4,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[g]pyrido[1,2-c][1,3,6]triazacyclotetradecine-14a(2H)-carboxamide
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Idx 320
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