General Property |
Molceule ID (DB) | EGIN0001506 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 8a compound |
IUPAC Name | N-[4-(benzyloxy)phenyl]-6-{4-[(2-methanesulfonylethyl)amino]butyl}quinazolin-4-amine |
Formula | C28H32N4O3S |
Mass | 504.644 |
Exact Mass | 504.2195116 |
Composition | C (66.64%), H (6.39%), N (11.1%), O (9.51%), S (6.35%) |
Atom Count | 68 |
PI | 12.82 |
Smiles | c12c(ccc(c1)CCCCNCCS(=O)(=O)C)ncnc2Nc1ccc(cc1)OCc1ccccc1 |
InChI | 1S/C28H32N4O3S/c1-36(33,34)18-17-29-16-6-5-7-22-10-15-27-26(19-22)28(31-21-30-27)32-24-11-13-25(14-1
2-24)35-20-23-8-3-2-4-9-23/h2-4,8-15,19,21,29H,5-7,16-18,20H2,1H3,(H,30,31,32) |
InChIKey | UUZFAVVQDXHKNK-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001506.png) | Structure Backbone | ![](./frame/f_EGIN0001506.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 | 14684309 |
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 |
54373655
|
Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | CHEMBL15346 |