General Property |
Molceule ID (DB) | EGIN0003712 |
Inhibitor Class | Indolinone |
Molecule Name in Refrence Article | 30 compound |
IUPAC Name | (3Z)-5-chloro-3-{[4-hydroxy-3,5-bis(propan-2-yl)phenyl]methylidene}-2,3-dihydro-1H-indol-2-one |
Formula | C21H22ClNO2 |
Mass | 355.858 |
Exact Mass | 355.1339067 |
Composition | C (70.88%), H (6.23%), Cl (9.96%), N (3.94%), O (8.99%) |
Atom Count | 47 |
PI | 4.09 |
Smiles | C1(=C/c2cc(c(c(c2)C(C)C)O)C(C)C)/C(=O)Nc2c1cc(cc2)Cl |
InChI | 1S/C21H22ClNO2/c1-11(2)15-7-13(8-16(12(3)4)20(15)24)9-18-17-10-14(22)5-6-19(17)23-21(18)25/h5-12,24H
,1-4H3,(H,23,25)/b18-9- |
InChIKey | OHYZPHUXMLDXTQ-NVMNQCDNSA-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 | 9651163 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | IGF1R | FLK-1 | PDGFR | ALL |
Pub Chem Link |
-
|
Drug Bank Link | - |
ChemSpider Link | 23176567 |
ChEMBL Link | CHEMBL89723 |