CHEMBL4246000
(2S,3S,4S,5R,6S)-6-[4,6-difluoro-5-[4-[(2S)-oxan-2-yl]phenyl]-1H-indole-3-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular Identity
CHEMBL4246000
(2S,3S,4S,5R,6S)-6-[4,6-difluoro-5-[4-[(2S)-oxan-2-yl]phenyl]-1H-indole-3-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
PubChem CID: 121396405
2D Structure
Properties
C26H25F2NO9
Molecular Formula
533.50
Molecular Weight
g/mol
533.1497
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
159
TPSA
May have limited oral absorption
5
H-Bond Donors
11
H-Bond Acceptors
859
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(5)
CHEMBL42460001-O-(4,6-difluoro-5-{4-[(2S)-oxan-2-yl]phenyl}-1H-indole-3-carbonyl)-beta-D-glucopyranuronic acidSCHEMBL17822634BDBM50463099HUG
Data from PubChem (NCBI)
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Drug Network
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