General Property |
Molceule ID (DB) | EGIN0004919 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 18 |
IUPAC Name | 2-({4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)ethan-1-ol |
Formula | C17H15ClFN3O3 |
Mass | 363.771 |
Exact Mass | 363.0785973 |
Composition | C (56.13%), H (4.16%), Cl (9.75%), F (5.22%), N (11.55%), O (13.19%) |
Atom Count | 40 |
PI | 9.81 |
Smiles | COc1c(OCCO)cc2c(Nc3cc(Cl)c(F)cc3)ncnc2c1 |
InChI | 1S/C17H15ClFN3O3/c1-24-15-8-14-11(7-16(15)25-5-4-23)17(21-9-20-14)22-10-2-3-13(19)12(18)6-10/h2-3,6-
9,23H,4-5H2,1H3,(H,20,21,22) |
InChIKey | WKVBTXXRMLCXIX-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004919.png) | Structure Backbone | ![](./frame/f_EGIN0004919.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 | - |