| General Property |
| Molceule ID (DB) | EGIN0003456 |
| Inhibitor Class | Isoindolone |
| Molecule Name in Refrence Article | 7f compound |
| IUPAC Name | 3-butyl-19-methyl-7-[(2R)-oxan-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 | C29H32N4O2 |
| Mass | 468.59 |
| Exact Mass | 468.2525263 |
| Composition | C (74.33%), H (6.88%), N (11.96%), O (6.83%) |
| Atom Count | 67 |
| PI | 8.47 |
| Smiles | c12c(CCc3c1cn(n3)C)c1c(c3cc([C@@H]4OCCCC4)ccc3n1CCCC)c1c2C(=O)NC1 |
| InChI | 1S/C29H32N4O2/c1-3-4-12-33-23-11-8-17(24-7-5-6-13-35-24)14-19(23)26-20-15-30-29(34)27(20)25-18(28(26
)33)9-10-22-21(25)16-32(2)31-22/h8,11,14,16,24H,3-7,9-10,12-13,15H2,1-2H3,(H,30,34)/t24-/m1/s1 |
| InChIKey | HJYJEONSUZVOQP-XMMPIXPASA-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 | 20430619 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | blk | FGFR-3 | fyn | lck | lyn | PDGFR beta | yes | ALL |
| Pub Chem Link |
46889887
|
| Drug Bank Link | - |
| ChemSpider Link | 24661319 |
| ChEMBL Link | CHEMBL1082829 |
