General Property |
Molceule ID (DB) | EGIN0000022 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 12 compound |
IUPAC Name | 2-[(2S)-1-({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)pyrrolidin-2-yl]acetamide |
Formula | C22H23ClFN5O2 |
Mass | 443.902 |
Exact Mass | 443.1524309 |
Composition | C (59.53%), H (5.22%), Cl (7.99%), F (4.28%), N (15.78%), O (7.21%) |
Atom Count | 54 |
PI | 10.91 |
Smiles | c12cc(c(cc1ncnc2Nc1cccc(c1F)Cl)OC)CN1[C@@H](CCC1)CC(=O)N |
InChI | 1S/C22H23ClFN5O2/c1-31-19-10-18-15(8-13(19)11-29-7-3-4-14(29)9-20(25)30)22(27-12-26-18)28-17-6-2-5-1
6(23)21(17)24/h2,5-6,8,10,12,14H,3-4,7,9,11H2,1H3,(H2,25,30)(H,26,27,28)/t14-/m0/s1 |
InChIKey | CFQAZHZKWMMXOV-AWEZNQCLSA-N |
2D Structure | ![](./image/EGIN0000022.png) | Structure Backbone | ![](./frame/f_EGIN0000022.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 | 23270064 |
ChEMBL Link | CHEMBL377772 |