General Property |
Molceule ID (DB) | EGIN0001513 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 8b compound |
IUPAC Name | N-(3-ethynylphenyl)-6-{4-[(methanesulfonylmethyl)amino]butoxy}quinazolin-4-amine |
Formula | C22H24N4O3S |
Mass | 424.516 |
Exact Mass | 424.1569113 |
Composition | C (62.24%), H (5.7%), N (13.2%), O (11.31%), S (7.55%) |
Atom Count | 54 |
PI | 11.43 |
Smiles | c12c(ccc(c1)OCCCCNCS(=O)(=O)C)ncnc2Nc1cc(ccc1)C#C |
InChI | 1S/C22H24N4O3S/c1-3-17-7-6-8-18(13-17)26-22-20-14-19(9-10-21(20)24-15-25-22)29-12-5-4-11-23-16-30(2,
27)28/h1,6-10,13-15,23H,4-5,11-12,16H2,2H3,(H,24,25,26) |
InChIKey | MQTFOGCFGVBQOD-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001513.png) | Structure Backbone | ![](./frame/f_EGIN0001513.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 |
44269724
|
Drug Bank Link | - |
ChemSpider Link | 23113907 |
ChEMBL Link | CHEMBL14543 |