General Property |
Molceule ID (DB) | EGIN0002257 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 2 compound |
IUPAC Name | N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine |
Formula | C24H20N4O2S |
Mass | 428.506 |
Exact Mass | 428.1306966 |
Composition | C (67.27%), H (4.7%), N (13.07%), O (7.47%), S (7.48%) |
Atom Count | 51 |
PI | 10.22 |
Smiles | c1(c(cc2c(c1)c(ncn2)Nc1ccc(cc1C)c1nc2c(s1)cccc2)OC)OC |
InChI | 1S/C24H20N4O2S/c1-14-10-15(24-28-18-6-4-5-7-22(18)31-24)8-9-17(14)27-23-16-11-20(29-2)21(30-3)12-19(
16)25-13-26-23/h4-13H,1-3H3,(H,25,26,27) |
InChIKey | ILOAUSWXRCKWFH-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 | 19692247 | 19211246 | |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | EphB4 | IGF1R | InsR | Src | VEGFR2 | Aurora B | Aurora A | TIE2 | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 23335982 |
ChEMBL Link | CHEMBL514942 |