General Property |
Molceule ID (DB) | EGIN0000018 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 8 compound |
IUPAC Name | (2R,4R)-1-({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)-4-methoxypyrrolidine-2-carboxamide |
Formula | C22H23ClFN5O3 |
Mass | 459.901 |
Exact Mass | 459.1473455 |
Composition | C (57.45%), H (5.04%), Cl (7.71%), F (4.13%), N (15.23%), O (10.44%) |
Atom Count | 55 |
PI | 9.79 |
Smiles | c12cc(c(cc1ncnc2Nc1cccc(c1F)Cl)OC)CN1[C@H](C[C@H](C1)OC)C(=O)N |
InChI | 1S/C22H23ClFN5O3/c1-31-13-7-18(21(25)30)29(10-13)9-12-6-14-17(8-19(12)32-2)26-11-27-22(14)28-16-5-3-
4-15(23)20(16)24/h3-6,8,11,13,18H,7,9-10H2,1-2H3,(H2,25,30)(H,26,27,28)/t13-,18-/m1/s1 |
InChIKey | YFQAPABPZZSLEM-FZKQIMNGSA-N |
2D Structure | ![](./image/EGIN0000018.png) | Structure Backbone | ![](./frame/f_EGIN0000018.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 | 16516473 |
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 | 23269942 |
ChEMBL Link | CHEMBL207235 |