General Property |
Molceule ID (DB) | EGIN0004587 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 1c |
IUPAC Name | 4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine |
Formula | C14H10ClFN4 |
Mass | 288.707 |
Exact Mass | 288.0578023 |
Composition | C (58.24%), H (3.49%), Cl (12.28%), F (6.58%), N (19.41%) |
Atom Count | 30 |
PI | 10.57 |
Smiles | c1c(ccc2c1c(ncn2)Nc1cc(c(cc1)F)Cl)N |
InChI | 1S/C14H10ClFN4/c15-11-6-9(2-3-12(11)16)20-14-10-5-8(17)1-4-13(10)18-7-19-14/h1-7H,17H2,(H,18,19,20) |
InChIKey | HJAGRTPTIMMQPY-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 | 22309911 |
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 |
10880751
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Drug Bank Link | - |
ChemSpider Link | 9056020 |
ChEMBL Link | CHEMBL242541 |