General Property |
Molceule ID (DB) | EGIN0003886 |
Inhibitor Class | Indolinone |
Molecule Name in Refrence Article | 4d compound |
IUPAC Name | (3Z)-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-2,3-dihydro-1H-indole-5-carboxylic acid |
Formula | C18H16N2O3 |
Mass | 308.3312 |
Exact Mass | 308.1160924 |
Composition | C (70.12%), H (5.23%), N (9.09%), O (15.57%) |
Atom Count | 39 |
PI | 0.99 |
Smiles | C1(=C/c2[nH]c3c(c2)CCCC3)/C(=O)Nc2c1cc(C(=O)O)cc2 |
InChI | 1S/C18H16N2O3/c21-17-14(9-12-7-10-3-1-2-4-15(10)19-12)13-8-11(18(22)23)5-6-16(13)20-17/h5-9,19H,1-4H
2,(H,20,21)(H,22,23)/b14-9- |
InChIKey | CKNQIKAQBWDTIP-ZROIWOOFSA-N |
2D Structure | ![](./image/EGIN0003886.png) | Structure Backbone | ![](./frame/f_EGIN0003886.png) |
|
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 | 10893303 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | PDGFR beta | p60c-Src | VEGFR2 | FGFR1 | ALL |
Pub Chem Link |
5329157
|
Drug Bank Link | - |
ChemSpider Link | 4486319 |
ChEMBL Link | CHEMBL89010 |