| General Property |
| Molceule ID (DB) | EGIN0003487 |
| Inhibitor Class | indolone |
| Molecule Name in Refrence Article | 40 compound |
| IUPAC Name | 7-[(1E)-1-(ethoxyimino)ethyl]-19-methyl-3-(propan-2-yl)-3,13,19,20-tetraazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,21}]tricosa-1(16),2(10),4,6,8,11(15),17,20-octaen-14-one |
| Formula | C27H29N5O2 |
| Mass | 455.5515 |
| Exact Mass | 455.2321252 |
| Composition | C (71.19%), H (6.42%), N (15.37%), O (7.02%) |
| Atom Count | 63 |
| PI | 8.99 |
| Smiles | c1(ccc2c(c1)c1c(n2C(C)C)c2c(c3c1CNC3=O)c1c(CC2)nn(c1)C)/C(=N/OCC)/C |
| InChI | 1S/C27H29N5O2/c1-6-34-30-15(4)16-7-10-22-18(11-16)24-19-12-28-27(33)25(19)23-17(26(24)32(22)14(2)3)8
-9-21-20(23)13-31(5)29-21/h7,10-11,13-14H,6,8-9,12H2,1-5H3,(H,28,33)/b30-15+ |
| InChIKey | QGMACHJORMNYMR-FJEPWZHXSA-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 | 18308565 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | c-Src | |
| Pub Chem Link |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 23314145 |
| ChEMBL Link | CHEMBL401896 |
