| General Property |
| Molceule ID (DB) | EGIN0004591 |
| Inhibitor Class | Purine |
| Molecule Name in Refrence Article | 1a |
| IUPAC Name | N-methyl-N-{4-[(6-{[(3R)-1-(prop-2-enoyl)piperidin-3-yl]amino}-9H-purin-2-yl)amino]phenyl}propanamide |
| Formula | C23H28N8O2 |
| Mass | 448.5208 |
| Exact Mass | 448.2335222 |
| Composition | C (61.59%), H (6.29%), N (24.98%), O (7.13%) |
| Atom Count | 61 |
| PI | 7.9 |
| Smiles | c1c(ccc(c1)Nc1nc(c2nc[nH]c2n1)N[C@@H]1CCCN(C1)C(=O)C=C)N(C(=O)CC)C |
| InChI | 1S/C23H28N8O2/c1-4-18(32)30(3)17-10-8-15(9-11-17)27-23-28-21-20(24-14-25-21)22(29-23)26-16-7-6-12-31
(13-16)19(33)5-2/h5,8-11,14,16H,2,4,6-7,12-13H2,1,3H3,(H3,24,25,26,27,28,29)/t16-/m1/s1 |
| InChIKey | OTPQDXLFXQGSHS-MRXNPFEDSA-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 26375653 |
| ChEMBL Link | - |
