CCR2 Antagonist
trans-(1S,3R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-1-propan-2-ylcyclopentane-1-carboxamide
Molecular Identity
CCR2 Antagonist
trans-(1S,3R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-1-propan-2-ylcyclopentane-1-carboxamide
PubChem CID: 44454820
2D Structure
Properties
C31H36F4N2O
Molecular Formula
528.60
Molecular Weight
g/mol
528.2764
Exact Mass
Da
7.3
XLogP
Above Lipinski threshold
32.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
890
Complexity
SMILES
Canonical SMILES
SMILES: CC1CN(CCC12C=CC3=CC=CC=C23)C4CCC(C4)(C(C)C)C(=O)NCC5=CC(=CC(=C5)F)C(F)(F)FIsomeric SMILES
SMILES: C[C@H]1CN(CC[C@@]12C=CC3=CC=CC=C23)[C@@H]4CC[C@](C4)(C(C)C)C(=O)NCC5=CC(=CC(=C5)F)C(F)(F)FSynonyms(5)
CHEMBL272369400771-55-3CCR2 Antagonist(1S,3R)-N-[[3-Fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-1-propan-2-ylcyclopentane-1-carboxamideBDBM50374521
Data from PubChem (NCBI)
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