| General Property |
| Molceule ID (DB) | EGIN0004277 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 19e compound |
| IUPAC Name | (2S)-N-{4-[(3,4-dichloro-2-fluorophenyl)amino]-7-(2-methoxyethoxy)quinazolin-6-yl}-1-(prop-2-enoyl)pyrrolidine-2-carboxamide |
| Formula | C25H24Cl2FN5O4 |
| Mass | 548.394 |
| Exact Mass | 547.1189379 |
| Composition | C (54.75%), H (4.41%), Cl (12.93%), F (3.46%), N (12.77%), O (11.67%) |
| Atom Count | 61 |
| PI | 7.99 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1c(c(c(cc1)Cl)Cl)F)OCCOC)NC(=O)[C@@H]1CCCN1C(=O)C=C |
| InChI | 1S/C25H24Cl2FN5O4/c1-3-21(34)33-8-4-5-19(33)25(35)32-18-11-14-17(12-20(18)37-10-9-36-2)29-13-30-24(1
4)31-16-7-6-15(26)22(27)23(16)28/h3,6-7,11-13,19H,1,4-5,8-10H2,2H3,(H,32,35)(H,29,30,31)/t19-/m0/s1 |
| InChIKey | AQSAVZBNRWMFSP-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 | 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 | 24633361 |
| ChEMBL Link | CHEMBL571718 |
