General Property |
Molceule ID (DB) | EGIN0003066 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 22 compound |
IUPAC Name | N-[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]-6-methoxy-N-methyl-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine |
Formula | C32H36N6O3S |
Mass | 584.732 |
Exact Mass | 584.2569597 |
Composition | C (65.73%), H (6.21%), N (14.37%), O (8.21%), S (5.48%) |
Atom Count | 78 |
PI | No isoelectric point. |
Smiles | c1(c(cc2c(c1)c(ncn2)N(c1ccc(c(c1)OC)c1nc2c(s1)cccc2)C)OCCCN1CCN(CC1)C)OC |
InChI | 1S/C32H36N6O3S/c1-36-13-15-38(16-14-36)12-7-17-41-29-20-26-24(19-28(29)40-4)31(34-21-33-26)37(2)22-1
0-11-23(27(18-22)39-3)32-35-25-8-5-6-9-30(25)42-32/h5-6,8-11,18-21H,7,12-17H2,1-4H3 |
InChIKey | NSXLLHJZQNFGCH-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 | PDGFR beta | TIE2 | VERFR2 | Aurora A | Aurora B | ALL |
Pub Chem Link |
46225668
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Drug Bank Link | - |
ChemSpider Link | 24646072 |
ChEMBL Link | CHEMBL593770 |