| General Property |
| Molceule ID (DB) | EGIN0000034 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 24 compound |
| IUPAC Name | (3R)-3-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]pyrrolidin-2-one |
| Formula | C21H21ClFN5O2 |
| Mass | 429.875 |
| Exact Mass | 429.1367809 |
| Composition | C (58.67%), H (4.92%), Cl (8.25%), F (4.42%), N (16.29%), O (7.44%) |
| Atom Count | 51 |
| PI | 9.84 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cccc(c1F)Cl)OC)CN([C@H]1C(=O)NCC1)C |
| InChI | 1S/C21H21ClFN5O2/c1-28(17-6-7-24-21(17)29)10-12-8-13-16(9-18(12)30-2)25-11-26-20(13)27-15-5-3-4-14(2
2)19(15)23/h3-5,8-9,11,17H,6-7,10H2,1-2H3,(H,24,29)(H,25,26,27)/t17-/m1/s1 |
| InChIKey | MOFYSSKDMWISNA-QGZVFWFLSA-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 | 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 | 23270053 |
| ChEMBL Link | CHEMBL378370 |
