aplaviroc
4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid
Molecular Identity
aplaviroc
4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid
PubChem CID: 3001322
2D Structure
Properties
C33H43N3O6
Molecular Formula
577.70
Molecular Weight
g/mol
577.3152
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
119
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
915
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
aplaviroc461443-59-4GW873140AK-602GW 873140GW-873140AK60298B425P30VGSK-873140DTXSID6047317Benzoic acid, 4-(4-(((3R)-1-butyl-3-((R)-cyclohexylhydroxymethyl)-2,5-dioxo-1,4,9-triazaspiro(55)undec-9-yl)methyl)phenoxy)-4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acidaplavirocum4-(4-(((3R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro(5.5)undecan-9-yl)methyl)phenoxy)benzoic acid4-(4-(((3R)-1-butyl-3-((R)-cyclohexyl-hydroxymethyl)-2,5-dioxo-1,4,9-triazaspiro(5.5)undecan-9-yl)methyl)phenoxy)benzoic acid
Data from PubChem (NCBI)
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