General Property |
Molceule ID (DB) | EGIN0004267 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 13h compound |
IUPAC Name | (2R)-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-/m1/s1 |
InChIKey | PATOINKGPJAMCV-XMMPIXPASA-N |
2D Structure | ![](./image/EGIN0004267.png) | Structure Backbone | ![](./frame/f_EGIN0004267.png) |
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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 | - |