| General Property |
| Molceule ID (DB) | EGIN0002323 |
| Inhibitor Class | Triazene |
| Molecule Name in Refrence Article | RB107 |
| IUPAC Name | [(2E)-3-{4-[(3-chlorophenyl)amino]quinazolin-6-yl}-1-methyltriaz-2-en-1-yl]methyl acetate |
| Formula | C18H17ClN6O2 |
| Mass | 384.82 |
| Exact Mass | 384.1101515 |
| Composition | C (56.18%), H (4.45%), Cl (9.21%), N (21.84%), O (8.32%) |
| Atom Count | 44 |
| PI | 9.04 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)/N=N/N(COC(=O)C)C |
| InChI | 1S/C18H17ClN6O2/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 | FNYQNCJFPUACPB-WCWDXBQESA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | 19665377 |
| 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 |
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| Drug Bank Link | - |
| ChemSpider Link | 24635021 |
| ChEMBL Link | CHEMBL571809 |
