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Name | CHEMBL231143 |
---|---|
Molecular formula | C34H42F4N2O |
IUPAC name | N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-hexyl-3-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide |
Molecular weight | 570.717 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 9.0 |
Synonyms | BDBM50212123 N-{[3-fluoro-5-(trifluoromethyl)phenyl]methyl}-1-hexyl-3-[(1S,5''R)-5''-methylspiro[indene-1,4''-piperidine]-1''-yl]cyclopentane-1-carboxamide |
Inchi Key | FONMXWMXXFXJLM-DQGLUBORSA-N |
Inchi ID | InChI=1S/C34H42F4N2O/c1-3-4-5-8-13-32(31(41)39-22-25-18-27(34(36,37)38)20-28(35)19-25)14-12-29(21-32)40-17-16-33(24(2)23-40)15-11-26-9-6-7-10-30(26)33/h6-7,9-11,15,18-20,24,29H,3-5,8,12-14,16-17,21-23H2,1-2H3,(H,39,41)/t24-,29?,32?,33+/m0/s1 |
PubChem CID | 44425650 |
ChEMBL | CHEMBL231143 |
IUPHAR | N/A |
BindingDB | 50212123 |
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 |
---|---|---|---|---|---|
83428 | C-C chemokine receptor type 2 | P51683 | Ccr2 | Mus musculus (Mouse) | 373 |
83429 | C-C chemokine receptor type 2 | P41597 | CCR2 | Homo sapiens (Human) | 374 |
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