BBO-8520
2-amino-4-[4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6-(trifluoromethyl)quinazolin-7-yl]-7-fluoro-1-benzothiophene-3-carbonitrile
Molecular Identity
BBO-8520
2-amino-4-[4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6-(trifluoromethyl)quinazolin-7-yl]-7-fluoro-1-benzothiophene-3-carbonitrile
PubChem CID: 166488980
2D Structure
Properties
C35H33F6N7O2S
Molecular Formula
729.70
Molecular Weight
g/mol
729.2321
Exact Mass
Da
7.6
XLogP
Above Lipinski threshold
140
TPSA
May have limited oral absorption
1
H-Bond Donors
15
H-Bond Acceptors
1370
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(9)
BBO-85202893809-51-1SCHEMBL24918065SCHEMBL30099205EX-A8854AT48488HY-158107CS-10474042-amino-4-[4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6-(trifluoromethyl)quinazolin-7-yl]-7-fluoro-1-benzothiophene-3-carbonitrile
Data from PubChem (NCBI)
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