| General Property |
| Molceule ID (DB) | EGIN0004262 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 13c compound |
| IUPAC Name | (2S)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}quinazolin-6-yl)-1-(prop-2-enoyl)pyrrolidine-2-carboxamide |
| Formula | C28H25ClN6O3 |
| Mass | 528.989 |
| Exact Mass | 528.1676664 |
| Composition | C (63.57%), H (4.76%), Cl (6.7%), N (15.89%), O (9.07%) |
| Atom Count | 63 |
| PI | 8.71 |
| Smiles | c12cc(ccc1ncnc2Nc1cc(c(cc1)OCc1ncccc1)Cl)NC(=O)[C@@H]1CCCN1C(=O)C=C |
| InChI | 1S/C28H25ClN6O3/c1-2-26(36)35-13-5-7-24(35)28(37)34-18-8-10-23-21(14-18)27(32-17-31-23)33-19-9-11-25
(22(29)15-19)38-16-20-6-3-4-12-30-20/h2-4,6,8-12,14-15,17,24H,1,5,7,13,16H2,(H,34,37)(H,31,32,33)/t2
4-/m0/s1 |
| InChIKey | PATOINKGPJAMCV-DEOSSOPVSA-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 | 19888761 |
| 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 | - |
| ChEMBL Link | - |
