General Property |
Molceule ID (DB) | EGIN0003047 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 3 compound |
IUPAC Name | 5-(1,3-benzothiazol-2-yl)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol |
Formula | C23H18N4O3S |
Mass | 430.479 |
Exact Mass | 430.1099612 |
Composition | C (64.17%), H (4.21%), N (13.01%), O (11.15%), S (7.45%) |
Atom Count | 49 |
PI | 6.84 |
Smiles | c1(c(cc2c(c1)c(ncn2)Nc1ccc(cc1O)c1nc2c(s1)cccc2)OC)OC |
InChI | 1S/C23H18N4O3S/c1-29-19-10-14-17(11-20(19)30-2)24-12-25-22(14)26-15-8-7-13(9-18(15)28)23-27-16-5-3-4
-6-21(16)31-23/h3-12,28H,1-2H3,(H,24,25,26) |
InChIKey | YJLOLSDWRBWJAG-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003047.png) | Structure Backbone | ![](./frame/f_EGIN0003047.png) |
|
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 |
46225679
|
Drug Bank Link | - |
ChemSpider Link | 24646084 |
ChEMBL Link | CHEMBL593293 |