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Name | CHEMBL3325898 |
---|---|
Molecular formula | C31H34ClN7O4 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)-2-carbamoylphenyl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide |
Molecular weight | 604.108 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 3.2 |
Synonyms | BDBM50100264 |
Inchi Key | NGVGPDQUAMGXTG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H34ClN7O4/c1-4-5-28(40)24-16-34-39(19(24)2)21-7-8-26(23(15-21)30(33)42)35-31(43)25-17-38(27-9-6-20(32)14-22(25)27)18-29(41)37-12-10-36(3)11-13-37/h6-9,14-17H,4-5,10-13,18H2,1-3H3,(H2,33,42)(H,35,43) |
PubChem CID | 118711249 |
ChEMBL | CHEMBL3325898 |
IUPHAR | N/A |
BindingDB | 50100264 |
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 |
---|---|---|---|---|---|
450454 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
450455 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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