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Name | CHEMBL230932 |
---|---|
Molecular formula | C30H34F4N2O |
IUPAC name | 1-ethyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide |
Molecular weight | 514.609 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 6.9 |
Synonyms | BDBM50212146 1-ethyl-N-{[3-fluoro-5-(trifluoromethyl)phenyl]methyl}-3-[(1S,5''R)-5''-methylspiro[indene-1,4''-piperidine]-1''-yl]cyclopentane-1-carboxamide |
Inchi Key | WZPMKCZRNPIWHY-FYZPOUGESA-N |
Inchi ID | InChI=1S/C30H34F4N2O/c1-3-28(27(37)35-18-21-14-23(30(32,33)34)16-24(31)15-21)10-9-25(17-28)36-13-12-29(20(2)19-36)11-8-22-6-4-5-7-26(22)29/h4-8,11,14-16,20,25H,3,9-10,12-13,17-19H2,1-2H3,(H,35,37)/t20-,25?,28?,29+/m0/s1 |
PubChem CID | 44425644 |
ChEMBL | CHEMBL230932 |
IUPHAR | N/A |
BindingDB | 50212146 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
386429 | C-C chemokine receptor type 2 | P41597 | CCR2 | Homo sapiens (Human) | 374 |
386430 | C-C chemokine receptor type 2 | P51683 | Ccr2 | Mus musculus (Mouse) | 373 |
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