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Ligand

NameCHEMBL231038
Molecular formulaC31H36F4N2O
IUPAC nameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-1-propylcyclopentane-1-carboxamide
Molecular weight528.636
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP7.4
SynonymsN-{[3-fluoro-5-(trifluoromethyl)phenyl]methyl}-3-[(1S,5''R)-5''-methylspiro[indene-1,4''-piperidine]-1''-yl]-1-propylcyclopentane-1-carboxamide
BDBM50212134
Inchi KeyQVUCDCFWXARAJF-VXJMAOCXSA-N
Inchi IDInChI=1S/C31H36F4N2O/c1-3-10-29(28(38)36-19-22-15-24(31(33,34)35)17-25(32)16-22)11-9-26(18-29)37-14-13-30(21(2)20-37)12-8-23-6-4-5-7-27(23)30/h4-8,12,15-17,21,26H,3,9-11,13-14,18-20H2,1-2H3,(H,36,38)/t21-,26?,29?,30+/m0/s1
PubChem CID44425646
ChEMBLCHEMBL231038
IUPHARN/A
BindingDB50212134
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
288044C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
288045C-C chemokine receptor type 2P51683Ccr2Mus musculus (Mouse)373

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