| General Property |
| Molceule ID (DB) | EGIN0003440 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 6l compound |
| IUPAC Name | 5-cyclopropyl-2-[(3,5-dimethoxyphenyl)amino]-7-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Formula | C27H30N6O4 |
| Mass | 502.5649 |
| Exact Mass | 502.2328535 |
| Composition | C (64.53%), H (6.02%), N (16.72%), O (12.73%) |
| Atom Count | 67 |
| PI | 6.99 |
| Smiles | c1c(cc(cc1Nc1nn2c(c1C(=O)N)nc(cc2N[C@H](CO)Cc1ccccc1)C1CC1)OC)OC |
| InChI | 1S/C27H30N6O4/c1-36-20-11-18(12-21(13-20)37-2)30-26-24(25(28)35)27-31-22(17-8-9-17)14-23(33(27)32-26
)29-19(15-34)10-16-6-4-3-5-7-16/h3-7,11-14,17,19,29,34H,8-10,15H2,1-2H3,(H2,28,35)(H,30,32)/t19-/m0/
s1 |
| InChIKey | HVKVREKLPAMYHA-IBGZPJMESA-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 | 17997320 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | KDR | PKC beta | Syk | ZAP | EGFR | c-Src | Lck | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23319481 |
| ChEMBL Link | CHEMBL260861 |
