| General Property |
| Molceule ID (DB) | EGIN0004583 |
| Inhibitor Class | Purine |
| Molecule Name in Refrence Article | 1d |
| IUPAC Name | N-methyl-N-{4-[(6-{methyl[(3S)-1-(prop-2-enoyl)piperidin-3-yl]amino}-9H-purin-2-yl)amino]phenyl}propanamide |
| Formula | C24H30N8O2 |
| Mass | 462.5474 |
| Exact Mass | 462.2491722 |
| Composition | C (62.32%), H (6.54%), N (24.23%), O (6.92%) |
| Atom Count | 64 |
| PI | 7.87 |
| Smiles | c1c(ccc(c1)Nc1nc(c2nc[nH]c2n1)N([C@H]1CCCN(C1)C(=O)C=C)C)N(C)C(=O)CC |
| InChI | 1S/C24H30N8O2/c1-5-19(33)30(3)17-11-9-16(10-12-17)27-24-28-22-21(25-15-26-22)23(29-24)31(4)18-8-7-13
-32(14-18)20(34)6-2/h6,9-12,15,18H,2,5,7-8,13-14H2,1,3-4H3,(H2,25,26,27,28,29)/t18-/m0/s1 |
| InChIKey | YECOQKGDBYGDTP-SFHVURJKSA-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 | 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 |
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| Drug Bank Link | - |
| ChemSpider Link | 26378638 |
| ChEMBL Link | - |
