General Property |
Molceule ID (DB) | EGIN0002476 |
Inhibitor Class | Imidazo-pyrazine |
Molecule Name in Refrence Article | PQIP |
IUPAC Name | 1-(2-phenylquinolin-7-yl)-3-[(1s,3s)-3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine |
Formula | C30H31N7 |
Mass | 489.614 |
Exact Mass | 489.264094 |
Composition | C (73.59%), H (6.38%), N (20.03%) |
Atom Count | 68 |
PI | No isoelectric point. |
Smiles | Nc1c2n(ccn1)c([C@@H]1C[C@H](N3CCN(C)CC3)C1)nc2c1cc2c(cc1)ccc(n2)c1ccccc1 |
InChI | 1S/C30H31N7/c1-35-13-15-36(16-14-35)24-17-23(18-24)30-34-27(28-29(31)32-11-12-37(28)30)22-8-7-21-9-1
0-25(33-26(21)19-22)20-5-3-2-4-6-20/h2-12,19,23-24H,13-18H2,1H3,(H2,31,32)/t23-,24+ |
InChIKey | PDJARQSWGDDFHH-PSWAGMNNSA-N |
2D Structure | | Structure Backbone | |
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View Structure in Jmol | Click to view 3 d structure Download Mol File |
Drug Like Property | Druglikeliness |
Symmetry & Geometry | Symmetry And Geometrical Information |
Activity & Binding | Activity against isoform and covalant binding information |
Topological Properties | Descriptors |
Reference | 20817523 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 23306099 |
ChEMBL Link | CHEMBL249295 |