General Property |
Molceule ID (DB) | EGIN0003068 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 24 compound |
IUPAC Name | 4-[4-(1,3-benzothiazol-2-yl)phenoxy]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline |
Formula | C30H31N5O3S |
Mass | 541.664 |
Exact Mass | 541.2147606 |
Composition | C (66.52%), H (5.77%), N (12.93%), O (8.86%), S (5.92%) |
Atom Count | 70 |
PI | No isoelectric point. |
Smiles | c1(c(cc2c(c1)c(ncn2)Oc1ccc(cc1)c1nc2c(s1)cccc2)OCCCN1CCN(CC1)C)OC |
InChI | 1S/C30H31N5O3S/c1-34-13-15-35(16-14-34)12-5-17-37-27-19-25-23(18-26(27)36-2)29(32-20-31-25)38-22-10-
8-21(9-11-22)30-33-24-6-3-4-7-28(24)39-30/h3-4,6-11,18-20H,5,12-17H2,1-2H3 |
InChIKey | CVMUHXWSBHMVGZ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003068.png) | Structure Backbone | ![](./frame/f_EGIN0003068.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 | VERFR2 | PDGFR beta | TIE2 | Aurora B | Aurora A | ALL |
Pub Chem Link |
12000646
|
Drug Bank Link | - |
ChemSpider Link | 10173113 |
ChEMBL Link | CHEMBL595143 |