General Property |
Molceule ID (DB) | EGIN0000281 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | TYRPHOSTIN AG-1478 |
IUPAC Name | N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine |
Formula | C16H14ClN3O2 |
Mass | 315.754 |
Exact Mass | 315.0774544 |
Composition | C (60.86%), H (4.47%), Cl (11.23%), N (13.31%), O (10.13%) |
Atom Count | 36 |
PI | 10.27 |
Smiles | c1(cc(ccc1)Cl)Nc1c2c(ncn1)cc(c(c2)OC)OC |
InChI | 1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18
,19,20) |
InChIKey | GFNNBHLJANVSQV-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
|
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 | 8568816 | 10090785 | 15454232 | 16279804 | |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | PKC alpha | v-Abl | c-Src | v-Abl | c-Src | PKC-R | p38a | HWB | ALL |
Pub Chem Link |
2051
|
Drug Bank Link | - |
ChemSpider Link | 1968 |
ChEMBL Link | CHEMBL7917 |