LY-2881835
(3S)-3-[4-[[4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)phenyl]methoxy]phenyl]hex-4-ynoic acid
Molecular Identity
LY-2881835
(3S)-3-[4-[[4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)phenyl]methoxy]phenyl]hex-4-ynoic acid
PubChem CID: 51049992
2D Structure
Properties
C33H33NO3
Molecular Formula
491.60
Molecular Weight
g/mol
491.2460
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
49.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
843
Complexity
SMILES
Canonical SMILES
SMILES: CC#CC(CC(=O)O)C1=CC=C(C=C1)OCC2=CC=C(C=C2)CN3CCC4(CC3)C=CC5=CC=CC=C45Isomeric SMILES
SMILES: CC#C[C@@H](CC(=O)O)C1=CC=C(C=C1)OCC2=CC=C(C=C2)CN3CCC4(CC3)C=CC5=CC=CC=C45Synonyms(20)
1292290-38-0LY2881835LY-2881835LAD0ZG7FFO(betaS)-beta-1-Propyn-1-yl-4-((4-(spiro(1H-indene-1,4'-piperidin)-1'-ylmethyl)phenyl)methoxy)benzenepropanoic acidBenzenepropanoic acid, beta-1-propyn-1-yl-4-((4-(spiro(1H-indene-1,4'-piperidin)-1'-ylmethyl)phenyl)methoxy)-, (betaS)-RefChem:154546(3S)-3-(4-((4-((spiro(indene-1,4'-piperidin)-1'-yl)methyl)phenyl)methoxy)phenyl)hex-4-ynoic acidUNII-LAD0ZG7FFO(3S)-3-(4-{[4-(1'H-Spiro[indene-1,4'-piperidin]-1'-ylmethyl)benzyl]oxy}hex-4-ynoic acidCHEMBL3915620orb1700044SCHEMBL1587130BDBM50200369AKOS040748837
Data from PubChem (NCBI)
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