General Property |
Molceule ID (DB) | EGIN0004367 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | RB24 |
IUPAC Name | [(2E)-3-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-1-methyltriaz-2-en-1-yl]methyl acetate |
Formula | C18H17BrN6O2 |
Mass | 429.271 |
Exact Mass | 428.0596365 |
Composition | C (50.36%), H (3.99%), Br (18.61%), N (19.58%), O (7.45%) |
Atom Count | 44 |
PI | 9.08 |
Smiles | c1cc(cc(c1)Nc1ncnc2c1cc(cc2)/N=N/N(COC(=O)C)C)Br |
InChI | 1S/C18H17BrN6O2/c1-12(26)27-11-25(2)24-23-15-6-7-17-16(9-15)18(21-10-20-17)22-14-5-3-4-13(19)8-14/h3
-10H,11H2,1-2H3,(H,20,21,22)/b24-23+ |
InChIKey | BGAMOZWTRCVNIL-WCWDXBQESA-N |
2D Structure | ![](./image/EGIN0004367.png) | Structure Backbone | ![](./frame/f_EGIN0004367.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 | 21138763 |
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 |
12643540
|
Drug Bank Link | - |
ChemSpider Link | 8269663 |
ChEMBL Link | CHEMBL152922 |