General Property |
Molceule ID (DB) | EGIN0001867 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 7 compound |
IUPAC Name | N-[4-(benzyloxy)-3-bromophenyl]-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine |
Formula | C29H27BrN4O4S |
Mass | 607.518 |
Exact Mass | 606.0936387 |
Composition | C (57.33%), H (4.48%), Br (13.15%), N (9.22%), O (10.53%), S (5.28%) |
Atom Count | 66 |
PI | 11.61 |
Smiles | C(NCCS(=O)(=O)C)c1ccc(c2ccc3c(c2)c(ncn3)Nc2cc(c(cc2)OCc2ccccc2)Br)o1 |
InChI | 1S/C29H27BrN4O4S/c1-39(35,36)14-13-31-17-23-9-12-27(38-23)21-7-10-26-24(15-21)29(33-19-32-26)34-22-8
-11-28(25(30)16-22)37-18-20-5-3-2-4-6-20/h2-12,15-16,19,31H,13-14,17-18H2,1H3,(H,32,33,34) |
InChIKey | RRURVOSFXQLYQR-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001867.png) | Structure Backbone | ![](./frame/f_EGIN0001867.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 | 16777410 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
21952043
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Drug Bank Link | - |
ChemSpider Link | 10707514 |
ChEMBL Link | CHEMBL214689 |