General Property |
Molceule ID (DB) | EGIN0003419 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 16 compound |
IUPAC Name | 3-(2-chloroethyl)-3-methyl-1-{4-[(3-methylphenyl)amino]quinazolin-6-yl}urea |
Formula | C19H20ClN5O |
Mass | 369.848 |
Exact Mass | 369.135638 |
Composition | C (61.7%), H (5.45%), Cl (9.59%), N (18.94%), O (4.33%) |
Atom Count | 46 |
PI | 8.59 |
Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)C)NC(=O)N(CCCl)C |
InChI | 1S/C19H20ClN5O/c1-13-4-3-5-14(10-13)23-18-16-11-15(6-7-17(16)21-12-22-18)24-19(26)25(2)9-8-20/h3-7,1
0-12H,8-9H2,1-2H3,(H,24,26)(H,21,22,23) |
InChIKey | YJPDSCHNEKNQAA-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003419.png) | Structure Backbone | ![](./frame/f_EGIN0003419.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 | 16759097 |
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 |
44412177
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Drug Bank Link | - |
ChemSpider Link | 23271370 |
ChEMBL Link | CHEMBL208849 |