| General Property |
| Molceule ID (DB) | EGIN0004273 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 19a compound |
| IUPAC Name | (2S)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-7-(2-methoxyethoxy)quinazolin-6-yl)-1-(prop-2-enoyl)pyrrolidine-2-carboxamide |
| Formula | C31H31ClN6O5 |
| Mass | 603.068 |
| Exact Mass | 602.2044458 |
| Composition | C (61.74%), H (5.18%), Cl (5.88%), N (13.94%), O (13.27%) |
| Atom Count | 74 |
| PI | 8.07 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)OCc1ncccc1)Cl)OCCOC)NC(=O)[C@@H]1CCCN1C(=O)C=C |
| InChI | 1S/C31H31ClN6O5/c1-3-29(39)38-12-6-8-26(38)31(40)37-25-16-22-24(17-28(25)42-14-13-41-2)34-19-35-30(2
2)36-20-9-10-27(23(32)15-20)43-18-21-7-4-5-11-33-21/h3-5,7,9-11,15-17,19,26H,1,6,8,12-14,18H2,2H3,(H
,37,40)(H,34,35,36)/t26-/m0/s1 |
| InChIKey | LIERQLOQHPAGLG-SANMLTNESA-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 | 24642599 |
| ChEMBL Link | CHEMBL585373 |
