| General Property |
| Molceule ID (DB) | EGIN0004180 |
| Inhibitor Class | Indolinone |
| Molecule Name in Refrence Article | 2 (BIBF1000) |
| IUPAC Name | methyl (3Z)-3-{[(4-{[(dimethylcarbamoyl)(methyl)amino]methyl}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1H-indole-6-carboxylate |
| Formula | C28H28N4O4 |
| Mass | 484.5463 |
| Exact Mass | 484.2110554 |
| Composition | C (69.41%), H (5.82%), N (11.56%), O (13.21%) |
| Atom Count | 64 |
| PI | 5.07 |
| Smiles | c1c(cc2c(c1)/C(=C(/c1ccccc1)Nc1ccc(cc1)CN(C(=O)N(C)C)C)/C(=O)N2)C(=O)OC |
| InChI | 1S/C28H28N4O4/c1-31(2)28(35)32(3)17-18-10-13-21(14-11-18)29-25(19-8-6-5-7-9-19)24-22-15-12-20(27(34)
36-4)16-23(22)30-26(24)33/h5-16,29H,17H2,1-4H3,(H,30,33)/b25-24- |
| InChIKey | DUZZUNRKDFGPSJ-IZHYLOQSSA-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 | 19522465 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | CDK1 | CDK2 | CDK4 | IGF1R | InsR | Plk1 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 11565350 |
| ChEMBL Link | CHEMBL525203 |
