General Property |
Molceule ID (DB) | EGIN0000365 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 1e compound |
IUPAC Name | 5-[(3-methylphenyl)amino]-8-nitroquinazolin-4-ol |
Formula | C15H12N4O3 |
Mass | 296.2808 |
Exact Mass | 296.0909403 |
Composition | C (60.81%), H (4.08%), N (18.91%), O (16.2%) |
Atom Count | 34 |
PI | 5.51 |
Smiles | c12c(c(ccc1Nc1cc(ccc1)C)N(=O)=O)ncnc2O |
InChI | 1S/C15H12N4O3/c1-9-3-2-4-10(7-9)18-11-5-6-12(19(21)22)14-13(11)15(20)17-8-16-14/h2-8,18H,1H3,(H,16,1
7,20) |
InChIKey | HTHUEBBXXQOUEE-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000365.png) | Structure Backbone | ![](./frame/f_EGIN0000365.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 | 15993078 |
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 | 23335064 |
ChEMBL Link | CHEMBL473083 |