General Property |
Molceule ID (DB) | EGIN0004918 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 17 |
IUPAC Name | 6-(2-aminoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine |
Formula | C17H16ClFN4O2 |
Mass | 362.786 |
Exact Mass | 362.0945817 |
Composition | C (56.28%), H (4.45%), Cl (9.77%), F (5.24%), N (15.44%), O (8.82%) |
Atom Count | 41 |
PI | 12.69 |
Smiles | COc1c(OCCN)cc2c(Nc3cc(Cl)c(F)cc3)ncnc2c1 |
InChI | 1S/C17H16ClFN4O2/c1-24-15-8-14-11(7-16(15)25-5-4-20)17(22-9-21-14)23-10-2-3-13(19)12(18)6-10/h2-3,6-
9H,4-5,20H2,1H3,(H,21,22,23) |
InChIKey | YNULYJVKQWEOIY-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004918.png) | Structure Backbone | ![](./frame/f_EGIN0004918.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 | 22867529 |
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 | - |