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Name | CHEMBL3325664 |
---|---|
Molecular formula | C33H40N6O3 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]indole-3-carboxamide |
Molecular weight | 568.722 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 4.3 |
Synonyms | BDBM50055820 |
Inchi Key | GQEOEKDVKQMUMJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C33H40N6O3/c1-6-7-31(40)28-19-34-39(24(28)5)26-11-9-25(10-12-26)35-33(42)29-20-38(30-13-8-23(4)18-27(29)30)21-32(41)37-16-14-36(15-17-37)22(2)3/h8-13,18-20,22H,6-7,14-17,21H2,1-5H3,(H,35,42) |
PubChem CID | 118711101 |
ChEMBL | CHEMBL3325664 |
IUPHAR | N/A |
BindingDB | 50055820 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
445741 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
445742 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
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