General Property |
Molceule ID (DB) | EGIN0003473 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 12 compound |
IUPAC Name | 6-[(1E)-dimethyltriaz-1-en-1-yl]-N-(3-methylphenyl)quinazolin-4-amine |
Formula | C17H18N6 |
Mass | 306.365 |
Exact Mass | 306.1592946 |
Composition | C (66.65%), H (5.92%), N (27.43%) |
Atom Count | 41 |
PI | 9.33 |
Smiles | c1(c2c(ncn1)ccc(/N=N/N(C)C)c2)Nc1cc(ccc1)C |
InChI | 1S/C17H18N6/c1-12-5-4-6-13(9-12)20-17-15-10-14(21-22-23(2)3)7-8-16(15)18-11-19-17/h4-11H,1-3H3,(H,18
,19,20)/b22-21+ |
InChIKey | NYKGOHUYIUUWNU-QURGRASLSA-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 | 13678409 |
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 |
10870494
|
Drug Bank Link | - |
ChemSpider Link | 9045775 |
ChEMBL Link | CHEMBL133023 |