General Property |
Molceule ID (DB) | EGIN0001510 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 13a compound |
IUPAC Name | N-[4-(benzyloxy)phenyl]-6-{3-[(2-methanesulfonylethyl)(methyl)amino]propyl}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 | 11.88 |
Smiles | c12c(ccc(c1)CCCN(CCS(=O)(=O)C)C)ncnc2Nc1ccc(cc1)OCc1ccccc1 |
InChI | 1S/C28H32N4O3S/c1-32(17-18-36(2,33)34)16-6-9-22-10-15-27-26(19-22)28(30-21-29-27)31-24-11-13-25(14-1
2-24)35-20-23-7-4-3-5-8-23/h3-5,7-8,10-15,19,21H,6,9,16-18,20H2,1-2H3,(H,29,30,31) |
InChIKey | UPUSNGBILSLQMW-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001510.png) | Structure Backbone | ![](./frame/f_EGIN0001510.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 |
54365988
|
Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | CHEMBL14874 |