General Property |
Molceule ID (DB) | EGIN0003053 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 9 compound |
IUPAC Name | N-[4-(1,3-benzothiazol-2-yl)-2-(trifluoromethoxy)phenyl]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine |
Formula | C31H31F3N6O3S |
Mass | 624.676 |
Exact Mass | 624.2130442 |
Composition | C (59.6%), H (5%), F (9.12%), N (13.45%), O (7.68%), S (5.13%) |
Atom Count | 75 |
PI | 10.98 |
Smiles | c1(c(cc2c(c1)c(ncn2)Nc1ccc(cc1OC(F)(F)F)c1nc2c(s1)cccc2)OCCCN1CCN(CC1)C)OC |
InChI | 1S/C31H31F3N6O3S/c1-39-11-13-40(14-12-39)10-5-15-42-27-18-24-21(17-26(27)41-2)29(36-19-35-24)37-22-9
-8-20(16-25(22)43-31(32,33)34)30-38-23-6-3-4-7-28(23)44-30/h3-4,6-9,16-19H,5,10-15H2,1-2H3,(H,35,36,
37) |
InChIKey | ZQXWSHOYNMQRDD-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 | 19692247 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | VERFR2 | Aurora A | Aurora B | TIE2 | PDGFR beta | ALL |
Pub Chem Link |
46225598
|
Drug Bank Link | - |
ChemSpider Link | 24646151 |
ChEMBL Link | CHEMBL593245 |