General Property |
Molceule ID (DB) | EGIN0002261 |
Inhibitor Class | Benzo-thiazole |
Molecule Name in Refrence Article | 30 compound |
IUPAC Name | 4-N-[4-(1,3-benzothiazol-2-yl)phenyl]-6,7-dimethoxy-2-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine |
Formula | C27H23N7O2S |
Mass | 509.582 |
Exact Mass | 509.1633937 |
Composition | C (63.64%), H (4.55%), N (19.24%), O (6.28%), S (6.29%) |
Atom Count | 60 |
PI | 7.4 |
Smiles | c1c(ccc(c1)c1nc2c(s1)cccc2)Nc1nc(nc2c1cc(c(c2)OC)OC)Nc1cc([nH]n1)C |
InChI | 1S/C27H23N7O2S/c1-15-12-24(34-33-15)31-27-30-20-14-22(36-3)21(35-2)13-18(20)25(32-27)28-17-10-8-16(9
-11-17)26-29-19-6-4-5-7-23(19)37-26/h4-14H,1-3H3,(H3,28,30,31,32,33,34) |
InChIKey | SAMQZLCXVPNZIG-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002261.png) | Structure Backbone | ![](./frame/f_EGIN0002261.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 | 19211246 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | Aurora B | TIE2 | VEGFR2 | IGF1R | InsR | Src | EphB4 | Aurora A | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 23336029 |
ChEMBL Link | CHEMBL473761 |