General Property |
Molceule ID (DB) | EGIN0004162 |
Inhibitor Class | Unknown |
Molecule Name in Refrence Article | SEW05754 |
IUPAC Name | (3E)-3-{[2-(4-methylpiperazin-1-yl)phenyl]methylidene}-2,3-dihydro-1H-indol-2-one |
Formula | C20H21N3O |
Mass | 319.4002 |
Exact Mass | 319.1684623 |
Composition | C (75.21%), H (6.63%), N (13.16%), O (5.01%) |
Atom Count | 45 |
PI | 9.55 |
Smiles | c1(c(cccc1)N1CCN(CC1)C)/C=C/1c2c(NC1=O)cccc2 |
InChI | 1S/C20H21N3O/c1-22-10-12-23(13-11-22)19-9-5-2-6-15(19)14-17-16-7-3-4-8-18(16)21-20(17)24/h2-9,14H,10
-13H2,1H3,(H,21,24)/b17-14+ |
InChIKey | GVZDDZHOCZYDBT-SAPNQHFASA-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 | 19170633 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
5703613
|
Drug Bank Link | - |
ChemSpider Link | 5300753 |
ChEMBL Link | CHEMBL460742 |