General Property |
Molceule ID (DB) | EGIN0000641 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | GW9525 |
IUPAC Name | N-[4-(benzenesulfonyl)phenyl]-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine |
Formula | C28H26N4O5S2 |
Mass | 562.66 |
Exact Mass | 562.1344613 |
Composition | C (59.77%), H (4.66%), N (9.96%), O (14.22%), S (11.4%) |
Atom Count | 65 |
PI | 10.84 |
Smiles | c12c(ccc(c1)c1oc(cc1)CNCCS(=O)(=O)C)ncnc2Nc1ccc(cc1)S(=O)(=O)c1ccccc1 |
InChI | 1S/C28H26N4O5S2/c1-38(33,34)16-15-29-18-22-10-14-27(37-22)20-7-13-26-25(17-20)28(31-19-30-26)32-21-8
-11-24(12-9-21)39(35,36)23-5-3-2-4-6-23/h2-14,17,19,29H,15-16,18H2,1H3,(H,30,31,32) |
InChIKey | XAQUARANYHJQBE-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000641.png) | Structure Backbone | ![](./frame/f_EGIN0000641.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 | 11585755 |
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 |
9850830
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Drug Bank Link | - |
ChemSpider Link | 8026543 |
ChEMBL Link | - |