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Name | CHEMBL3417216 |
---|---|
Molecular formula | C30H37F3N2O3 |
IUPAC name | [(1S,3R)-3-[(4,7-dimethoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone |
Molecular weight | 530.632 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 5.6 |
Synonyms | BDBM50077923 |
Inchi Key | AYCUFQQHIPKKPO-LYUOWNPOSA-N |
Inchi ID | InChI=1S/C30H37F3N2O3/c1-18(2)29(28(36)35-14-12-19-5-6-21(30(31,32)33)15-20(19)17-35)13-11-22(16-29)34-24-8-7-23-25(37-3)9-10-26(38-4)27(23)24/h5-6,9-10,15,18,22,24,34H,7-8,11-14,16-17H2,1-4H3/t22-,24?,29+/m1/s1 |
PubChem CID | 118734671 |
ChEMBL | CHEMBL3417216 |
IUPHAR | N/A |
BindingDB | 50077923 |
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 |
---|---|---|---|---|---|
442352 | C-C chemokine receptor type 2 | P41597 | CCR2 | Homo sapiens (Human) | 374 |
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