| General Property |
| Molceule ID (DB) | EGIN0004585 |
| Inhibitor Class | Purine |
| Molecule Name in Refrence Article | 1c |
| IUPAC Name | 1-[(3R)-3-{[2-({4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}amino)-9H-purin-6-yl]amino}piperidin-1-yl]prop-2-en-1-one |
| Formula | C25H31N9O2 |
| Mass | 489.5727 |
| Exact Mass | 489.2600713 |
| Composition | C (61.33%), H (6.38%), N (25.75%), O (6.54%) |
| Atom Count | 67 |
| PI | 8.29 |
| Smiles | c1c(ccc(c1)Nc1nc(c2nc[nH]c2n1)N[C@@H]1CCCN(C1)C(=O)C=C)C(=O)N1CCN(CC1)C |
| InChI | 1S/C25H31N9O2/c1-3-20(35)34-10-4-5-19(15-34)28-23-21-22(27-16-26-21)30-25(31-23)29-18-8-6-17(7-9-18)
24(36)33-13-11-32(2)12-14-33/h3,6-9,16,19H,1,4-5,10-15H2,2H3,(H3,26,27,28,29,30,31)/t19-/m1/s1 |
| InChIKey | ZKJPWJYKCZZDMZ-LJQANCHMSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | 21208802 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
10694789
|
| Drug Bank Link | - |
| ChemSpider Link | 26380508 |
| ChEMBL Link | - |
