General Property |
Molceule ID (DB) | EGIN0003474 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 13 compound |
IUPAC Name | N-(3-chlorophenyl)-6-[(1E)-dimethyltriaz-1-en-1-yl]quinazolin-4-amine |
Formula | C16H15ClN6 |
Mass | 326.784 |
Exact Mass | 326.1046722 |
Composition | C (58.81%), H (4.63%), Cl (10.85%), N (25.72%) |
Atom Count | 38 |
PI | 9.04 |
Smiles | c1(c2c(ncn1)ccc(/N=N/N(C)C)c2)Nc1cc(Cl)ccc1 |
InChI | 1S/C16H15ClN6/c1-23(2)22-21-13-6-7-15-14(9-13)16(19-10-18-15)20-12-5-3-4-11(17)8-12/h3-10H,1-2H3,(H,
18,19,20)/b22-21+ |
InChIKey | YTSMRZMCUJMHHR-QURGRASLSA-N |
2D Structure | | Structure Backbone | |
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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 | 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 |
10245856
|
Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | CHEMBL136491 |