General Property |
Molceule ID (DB) | EGIN0001047 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 10k compound |
IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(4-ethylpiperazin-1-yl)but-2-ynamide |
Formula | C24H25BrN6O |
Mass | 493.399 |
Exact Mass | 492.1273221 |
Composition | C (58.42%), H (5.11%), Br (16.19%), N (17.03%), O (3.24%) |
Atom Count | 57 |
PI | 10.25 |
Smiles | c12c(ccc(c1)NC(=O)C#CCN1CCN(CC1)CC)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C24H25BrN6O/c1-2-30-11-13-31(14-12-30)10-4-7-23(32)28-20-8-9-22-21(16-20)24(27-17-26-22)29-19-6-3
-5-18(25)15-19/h3,5-6,8-9,15-17H,2,10-14H2,1H3,(H,28,32)(H,26,27,29) |
InChIKey | JEZCURNCWCILAV-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001047.png) | Structure Backbone | ![](./frame/f_EGIN0001047.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 | 11495584 |
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 |
5328964
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Drug Bank Link | - |
ChemSpider Link | 4486126 |
ChEMBL Link | CHEMBL92356 |