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Name | CHEMBL3325643 |
---|---|
Molecular formula | C32H38N6O3 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]indole-3-carboxamide |
Molecular weight | 554.695 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.9 |
Synonyms | BDBM50100241 |
Inchi Key | MAEJHLCDEPWOPH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C32H38N6O3/c1-5-7-30(39)27-19-33-38(23(27)3)25-11-9-24(10-12-25)34-32(41)28-20-37(29-13-8-22(2)18-26(28)29)21-31(40)36-15-6-14-35(4)16-17-36/h8-13,18-20H,5-7,14-17,21H2,1-4H3,(H,34,41) |
PubChem CID | 118711081 |
ChEMBL | CHEMBL3325643 |
IUPHAR | N/A |
BindingDB | 50100241 |
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 |
---|---|---|---|---|---|
449583 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
449584 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
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