General Property |
Molceule ID (DB) | EGIN0003062 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 18 compound |
IUPAC Name | N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine |
Formula | C30H31ClN6O2S |
Mass | 575.124 |
Exact Mass | 574.1917727 |
Composition | C (62.65%), H (5.43%), Cl (6.16%), N (14.61%), O (5.56%), S (5.58%) |
Atom Count | 71 |
PI | 11.92 |
Smiles | c1(c(cc2c(c1)c(ncn2)Nc1ccc(cc1)c1nc2c(s1)cc(cc2)Cl)OCCCN1CCN(CC1)C)OC |
InChI | 1S/C30H31ClN6O2S/c1-36-11-13-37(14-12-36)10-3-15-39-27-18-25-23(17-26(27)38-2)29(33-19-32-25)34-22-7
-4-20(5-8-22)30-35-24-9-6-21(31)16-28(24)40-30/h4-9,16-19H,3,10-15H2,1-2H3,(H,32,33,34) |
InChIKey | WMBJPWPAQLGSFL-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 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | VERFR2 | TIE2 | Aurora A | Aurora B | PDGFR beta | VERFR2 | ALL |
Pub Chem Link |
46225664
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Drug Bank Link | - |
ChemSpider Link | 24645902 |
ChEMBL Link | CHEMBL593275 |