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Name | CHEMBL3325788 |
---|---|
Molecular formula | C37H39FN6O3 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylindole-3-carboxamide |
Molecular weight | 634.756 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 5.1 |
Synonyms | BDBM50055846 |
Inchi Key | OEQBTCBROKYGDY-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C37H39FN6O3/c1-4-5-35(45)32-21-39-44(26(32)3)30-13-11-29(12-14-30)40-37(47)33-23-43(34-15-6-25(2)20-31(33)34)24-36(46)42-18-16-41(17-19-42)22-27-7-9-28(38)10-8-27/h6-15,20-21,23H,4-5,16-19,22,24H2,1-3H3,(H,40,47) |
PubChem CID | 118711180 |
ChEMBL | CHEMBL3325788 |
IUPHAR | N/A |
BindingDB | 50055846 |
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 |
---|---|---|---|---|---|
451108 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
451109 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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