General Property |
Molceule ID (DB) | EGIN0003049 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 5 compound |
IUPAC Name | N-[4-(1,3-benzothiazol-2-yl)phenyl]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine |
Formula | C30H32N6O2S |
Mass | 540.679 |
Exact Mass | 540.230745 |
Composition | C (66.64%), H (5.97%), N (15.54%), O (5.92%), S (5.93%) |
Atom Count | 71 |
PI | 11.92 |
Smiles | c1(c(cc2c(c1)c(ncn2)Nc1ccc(cc1)c1nc2c(s1)cccc2)OCCCN1CCN(CC1)C)OC |
InChI | 1S/C30H32N6O2S/c1-35-13-15-36(16-14-35)12-5-17-38-27-19-25-23(18-26(27)37-2)29(32-20-31-25)33-22-10-
8-21(9-11-22)30-34-24-6-3-4-7-28(24)39-30/h3-4,6-11,18-20H,5,12-17H2,1-2H3,(H,31,32,33) |
InChIKey | OZWMSXPIQVMFDE-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003049.png) | Structure Backbone | ![](./frame/f_EGIN0003049.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 | 19692247 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | VERFR2 | Aurora A | PDGFR beta | TIE2 | Aurora B | VERFR2 | ALL |
Pub Chem Link |
46225612
|
Drug Bank Link | - |
ChemSpider Link | 24648852 |
ChEMBL Link | CHEMBL595615 |