General Property |
Molceule ID (DB) | EGIN0003173 |
Inhibitor Class | Indolone |
Molecule Name in Refrence Article | 29 compound |
IUPAC Name | (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-imidazol-2-ylmethylidene)-2,3-dihydro-1H-indol-2-one |
Formula | C19H15N3O3 |
Mass | 333.3407 |
Exact Mass | 333.1113414 |
Composition | C (68.46%), H (4.54%), N (12.61%), O (14.4%) |
Atom Count | 40 |
PI | 8.06 |
Smiles | c1c(cc(c(c1)O)OC)c1ccc2c(c1)NC(=O)/C/2=Cc1ncc[nH]1 |
InChI | 1S/C19H15N3O3/c1-25-17-9-12(3-5-16(17)23)11-2-4-13-14(10-18-20-6-7-21-18)19(24)22-15(13)8-11/h2-10,2
3H,1H3,(H,20,21)(H,22,24)/b14-10- |
InChIKey | MKJOYZLSTNIBNH-UVTDQMKNSA-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 | 16242328 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | CDC2 | Chk1 | Chk2 | PKC | SGK | SRC | Tie2 | ALL |
Pub Chem Link |
23267385
|
Drug Bank Link | - |
ChemSpider Link | 23265166 |
ChEMBL Link | CHEMBL199299 |