Alcedaplin
5-chloro-1'-[2-[1-(3-hydroxy-3-methylcyclobutyl)-7-(trifluoromethyl)benzimidazol-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
Molecular Identity
Alcedaplin
5-chloro-1'-[2-[1-(3-hydroxy-3-methylcyclobutyl)-7-(trifluoromethyl)benzimidazol-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID: 169031025
2D Structure
Properties
C27H28ClF3N4O3
Molecular Formula
549.00
Molecular Weight
g/mol
548.1802
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
79.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
895
Complexity
SMILES
Canonical SMILES
SMILES: CC1(CC(C1)N2C=NC3=CC(=CC(=C32)C(F)(F)F)OCCN4CCC5(CC4)C6=C(C=CC(=C6)Cl)NC5=O)OIsomeric SMILES
SMILES: CC1(CC(C1)N2C=NC3=CC(=CC(=C32)C(F)(F)F)OCCN4CCC5(CC4)C6=C(C=CC(=C6)Cl)NC5=O)OSynonyms(11)
AlcedaplinMXE829MZE829SCHEMBL25314452SCHEMBL25937149SCHEMBL30506711GTPL14682MXE-829EX-A17433compound 352 [WO2023141432]2956780-66-6
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Alcedaplin
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