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Name | CHEMBL3325895 |
---|---|
Molecular formula | C30H32ClN5O4 |
IUPAC name | [4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl] 5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxylate |
Molecular weight | 562.067 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 4.4 |
Synonyms | BDBM50100242 |
Inchi Key | MFTNUFUMHSJQIL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C30H32ClN5O4/c1-4-5-28(37)25-17-32-36(20(25)2)22-7-9-23(10-8-22)40-30(39)26-18-35(27-11-6-21(31)16-24(26)27)19-29(38)34-14-12-33(3)13-15-34/h6-11,16-18H,4-5,12-15,19H2,1-3H3 |
PubChem CID | 118711247 |
ChEMBL | CHEMBL3325895 |
IUPHAR | N/A |
BindingDB | 50100242 |
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 |
---|---|---|---|---|---|
449735 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
449736 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
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