General Property |
Molceule ID (DB) | EGIN0003048 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 4 compound |
IUPAC Name | N-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-6,7-dimethoxyquinazolin-4-amine |
Formula | C24H20N4O3S |
Mass | 444.506 |
Exact Mass | 444.1256112 |
Composition | C (64.85%), H (4.54%), N (12.6%), O (10.8%), S (7.21%) |
Atom Count | 52 |
PI | 9.36 |
Smiles | c1(c(cc2c(c1)c(ncn2)Nc1ccc(cc1OC)c1nc2c(s1)cccc2)OC)OC |
InChI | 1S/C24H20N4O3S/c1-29-19-10-14(24-28-17-6-4-5-7-22(17)32-24)8-9-16(19)27-23-15-11-20(30-2)21(31-3)12-
18(15)25-13-26-23/h4-13H,1-3H3,(H,25,26,27) |
InChIKey | HPJSNEQIUZAEBL-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003048.png) | Structure Backbone | ![](./frame/f_EGIN0003048.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 | 19692247 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | Aurora A | Aurora B | PDGFR beta | ALL |
Pub Chem Link |
46225595
|
Drug Bank Link | - |
ChemSpider Link | 24647998 |
ChEMBL Link | CHEMBL596059 |