A1CG4
methyl (3S)-3-[[7-(2-amino-3-cyano-7-fluoro-1-benzothiophen-4-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6-(trifluoromethyl)quinazolin-4-yl]-ethylamino]pyrrolidine-1-carboxylate
Molecular Identity
A1CG4
methyl (3S)-3-[[7-(2-amino-3-cyano-7-fluoro-1-benzothiophen-4-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6-(trifluoromethyl)quinazolin-4-yl]-ethylamino]pyrrolidine-1-carboxylate
PubChem CID: 177700565
2D Structure
Properties
C34H33F6N7O3S
Molecular Formula
733.70
Molecular Weight
g/mol
733.2270
Exact Mass
Da
7.4
XLogP
Above Lipinski threshold
149
TPSA
May have limited oral absorption
1
H-Bond Donors
16
H-Bond Acceptors
1330
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(7)
A1CG4BBO-11818EX-A16469EX-A166981-Pyrrolidinecarboxylic acid, 3-[[7-(2-amino-3-cyano-7-fluorobenzo[b]thien-4-yl)-8-fluoro-2-[[(2R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy]-6-(trifluoromethyl)-4-quinazolinyl]ethylamino]-, methyl ester, (3S)-3029184-80-03029443-36-2
Data from PubChem (NCBI)
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Drug Network
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