General Property |
Molceule ID (DB) | EGIN0000015 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 5 compound |
IUPAC Name | (2R)-1-({4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)pyrrolidine-2-carboxamide |
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 | 10.96 |
Smiles | c12c(cc(c(c1)CN1CCC[C@@H]1C(=O)N)OC)ncnc2Nc1cc(c(cc1)F)Cl |
InChI | 1S/C21H21ClFN5O2/c1-30-19-9-17-14(7-12(19)10-28-6-2-3-18(28)20(24)29)21(26-11-25-17)27-13-4-5-16(23)
15(22)8-13/h4-5,7-9,11,18H,2-3,6,10H2,1H3,(H2,24,29)(H,25,26,27)/t18-/m1/s1 |
InChIKey | VFRFZAHRSWUZQO-GOSISDBHSA-N |
2D Structure | ![](./image/EGIN0000015.png) | Structure Backbone | ![](./frame/f_EGIN0000015.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 |
11532048
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Drug Bank Link | - |
ChemSpider Link | 9706831 |
ChEMBL Link | CHEMBL206955 |