General Property |
Molceule ID (DB) | EGIN0000728 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 25 compound |
IUPAC Name | N-(3-chlorophenyl)-7-nitroquinazolin-4-amine |
Formula | C14H9ClN4O2 |
Mass | 300.7 |
Exact Mass | 300.0414033 |
Composition | C (55.92%), H (3.02%), Cl (11.79%), N (18.63%), O (10.64%) |
Atom Count | 30 |
PI | 8.26 |
Smiles | c12c(cc(cc1)N(=O)=O)ncnc2Nc1cccc(c1)Cl |
InChI | 1S/C14H9ClN4O2/c15-9-2-1-3-10(6-9)18-14-12-5-4-11(19(20)21)7-13(12)16-8-17-14/h1-8H,(H,16,17,18) |
InChIKey | PFCDJDCJBTXAJZ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000728.png) | Structure Backbone | ![](./frame/f_EGIN0000728.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 | 8568816 |
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 |
5328198
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Drug Bank Link | - |
ChemSpider Link | 4485363 |
ChEMBL Link | CHEMBL93635 |