General Property |
Molceule ID (DB) | EGIN0004938 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 18a |
IUPAC Name | 4-[(6-methylquinazolin-4-yl)amino]benzonitrile |
Formula | C16H12N4 |
Mass | 260.2933 |
Exact Mass | 260.1061964 |
Composition | C (73.83%), H (4.65%), N (21.52%) |
Atom Count | 32 |
PI | 9.94 |
Smiles | c12cc(ccc1ncnc2Nc1ccc(cc1)C#N)C |
InChI | 1S/C16H12N4/c1-11-2-7-15-14(8-11)16(19-10-18-15)20-13-5-3-12(9-17)4-6-13/h2-8,10H,1H3,(H,18,19,20) |
InChIKey | AXXCJNPBASXGLQ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004938.png) | Structure Backbone | ![](./frame/f_EGIN0004938.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 | 8879541 |
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 |
5328821
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Drug Bank Link | - |
ChemSpider Link | 4485983 |
ChEMBL Link | - |