General Property |
Molceule ID (DB) | EGIN0000706 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 2a |
IUPAC Name | N-(3-chlorophenyl)quinazolin-4-amine |
Formula | C14H10ClN3 |
Mass | 255.702 |
Exact Mass | 255.056325 |
Composition | C (65.76%), H (3.94%), Cl (13.86%), N (16.43%) |
Atom Count | 28 |
PI | 9.8 |
Smiles | c12c(cccc1)ncnc2Nc1cccc(c1)Cl |
InChI | 1S/C14H10ClN3/c15-10-4-3-5-11(8-10)18-14-12-6-1-2-7-13(12)16-9-17-14/h1-9H,(H,16,17,18) |
InChIKey | ZKKVUIPXPPDIRD-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 | 7658435 | 8568816 | 8825124 | 10639288 | |
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 |
128872
|
Drug Bank Link | - |
ChemSpider Link | 114201 |
ChEMBL Link | CHEMBL329672 |