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 | ![](./image/EGIN0004179.png) | Structure Backbone | ![](./frame/f_EGIN0004179.png) |
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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 |