General Property |
Molceule ID (DB) | EGIN0001192 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 20 compound |
IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-6-yl}prop-2-enamide |
Formula | C17H12ClFN4O |
Mass | 342.755 |
Exact Mass | 342.0683669 |
Composition | C (59.57%), H (3.53%), Cl (10.34%), F (5.54%), N (16.35%), O (4.67%) |
Atom Count | 36 |
PI | 7.54 |
Smiles | c12nc(ccc1ncnc2Cc1cc(c(cc1)F)Cl)NC(=O)C=C |
InChI | 1S/C17H12ClFN4O/c1-2-16(24)22-15-6-5-13-17(23-15)14(21-9-20-13)8-10-3-4-12(19)11(18)7-10/h2-7,9H,1,8
H2,(H,22,23,24) |
InChIKey | YBZDFXKFZUDAAC-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001192.png) | Structure Backbone | ![](./frame/f_EGIN0001192.png) |
|
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 | 10956451 |
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 |
44564526
|
Drug Bank Link | - |
ChemSpider Link | 23335379 |
ChEMBL Link | CHEMBL524117 |