General Property |
Molceule ID (DB) | EGIN0001835 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 7 compound |
IUPAC Name | 6-N-(2-chloroethyl)-4-N-(3-chlorophenyl)quinazoline-4,6-diamine |
Formula | C16H14Cl2N4 |
Mass | 333.215 |
Exact Mass | 332.0595519 |
Composition | C (57.67%), H (4.23%), Cl (21.28%), N (16.81%) |
Atom Count | 36 |
PI | 10.48 |
Smiles | c1(c2c(ncn1)ccc(c2)NCCCl)Nc1cc(Cl)ccc1 |
InChI | 1S/C16H14Cl2N4/c17-6-7-19-12-4-5-15-14(9-12)16(21-10-20-15)22-13-3-1-2-11(18)8-13/h1-5,8-10,19H,6-7H
2,(H,20,21,22) |
InChIKey | RGZBNUZXRSSFQM-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 | 15686928 |
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 |
44389468
|
Drug Bank Link | - |
ChemSpider Link | 23245426 |
ChEMBL Link | CHEMBL179451 |