General Property |
Molceule ID (DB) | EGIN0004844 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 6 |
IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-3-(piperidin-1-yl)propanamide |
Formula | C22H24BrN5O |
Mass | 454.363 |
Exact Mass | 453.1164231 |
Composition | C (58.16%), H (5.32%), Br (17.59%), N (15.41%), O (3.52%) |
Atom Count | 53 |
PI | 11.56 |
Smiles | c1c(ccc2c1c(ncn2)Nc1cccc(c1)Br)NC(=O)CCN1CCCCC1 |
InChI | 1S/C22H24BrN5O/c23-16-5-4-6-17(13-16)27-22-19-14-18(7-8-20(19)24-15-25-22)26-21(29)9-12-28-10-2-1-3-
11-28/h4-8,13-15H,1-3,9-12H2,(H,26,29)(H,24,25,27) |
InChIKey | LILZTFBVEZLTID-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004844.png) | Structure Backbone | ![](./frame/f_EGIN0004844.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 | 22280453 |
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 |
46831434
|
Drug Bank Link | - |
ChemSpider Link | 28511564 |
ChEMBL Link | - |