General Property |
Molceule ID (DB) | EGIN0000164 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 3 compound |
IUPAC Name | 4-chloro-1-C-(4-methylbenzene)benzene-1,2-diamido |
Formula | C15H13ClN2O2 |
Mass | 288.729 |
Exact Mass | 288.0665554 |
Composition | C (62.4%), H (4.54%), Cl (12.28%), N (9.7%), O (11.08%) |
Atom Count | 33 |
PI | 4.1 |
Smiles | NC(=O)c1c(NC(=O)c2ccc(cc2)C)ccc(c1)Cl |
InChI | 1S/C15H13ClN2O2/c1-9-2-4-10(5-3-9)15(20)18-13-7-6-11(16)8-12(13)14(17)19/h2-8H,1H3,(H2,17,19)(H,18,2
0) |
InChIKey | QHGVFYOJPWFMKU-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000164.png) | Structure Backbone | ![](./frame/f_EGIN0000164.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 | 20599299 |
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 | 26349669 |
ChEMBL Link | CHEMBL1240541 |