Cemdomespib
N-[2-[4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-(3-fluorophenyl)phenyl]ethyl]acetamide
Molecular Identity
Cemdomespib
N-[2-[4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-(3-fluorophenyl)phenyl]ethyl]acetamide
PubChem CID: 60148493
2D Structure
Properties
C24H30FNO6
Molecular Formula
447.50
Molecular Weight
g/mol
447.2057
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
97.3
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
619
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
CemdomespibKU-5961450642-92-8T78QNE8JSIAcetamide, N-(2-(5-((6-deoxy-5-C-methyl-4-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-3'-fluoro(1,1'-biphenyl)-2-yl)ethyl)-RefChem:124321UNII-T78QNE8JSIN-[2-[4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-(3-fluorophenyl)phenyl]ethyl]acetamideCEMDOMESPIB [INN]BIIB143BIIB-143orb1687373CHEMBL2159227SCHEMBL15176325SCHEMBL29761674
Data from PubChem (NCBI)
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