| General Property |
| Molceule ID (DB) | EGIN0004179 |
| Inhibitor Class | Indolinone |
| Molecule Name in Refrence Article | 1 compound |
| IUPAC Name | (3Z)-2-oxo-3-[phenyl({[4-(piperidin-1-ylmethyl)phenyl]amino})methylidene]-2,3-dihydro-1H-indole-6-carboxamide |
| Formula | C28H28N4O2 |
| Mass | 452.5475 |
| Exact Mass | 452.2212262 |
| Composition | C (74.31%), H (6.24%), N (12.38%), O (7.07%) |
| Atom Count | 62 |
| PI | 10.09 |
| Smiles | c1c(cc2c(c1)/C(=C(c1ccccc1)/Nc1ccc(cc1)CN1CCCCC1)/C(=O)N2)C(=O)N |
| InChI | 1S/C28H28N4O2/c29-27(33)21-11-14-23-24(17-21)31-28(34)25(23)26(20-7-3-1-4-8-20)30-22-12-9-19(10-13-2
2)18-32-15-5-2-6-16-32/h1,3-4,7-14,17,30H,2,5-6,15-16,18H2,(H2,29,33)(H,31,34)/b26-25- |
| InChIKey | XZPCSXAQYZGHKR-QPLCGJKRSA-N |
| 2D Structure |  | Structure Backbone |  |
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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 | 19522465 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | CDK1 | CDK2 | CDK4 | IGF1R | InsR | Plk1 | VEGFR2 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 8065756 |
| ChEMBL Link | CHEMBL497949 |
