General Property |
Molceule ID (DB) | EGIN0003735 |
Inhibitor Class | Indolinone |
Molecule Name in Refrence Article | 53 compound |
IUPAC Name | (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-methyl-2,3-dihydro-1H-indol-2-one |
Formula | C16H16N2O |
Mass | 252.311 |
Exact Mass | 252.1262631 |
Composition | C (76.16%), H (6.39%), N (11.1%), O (6.34%) |
Atom Count | 35 |
PI | 4.74 |
Smiles | c1(ccc2c(c1)/C(=C/c1[nH]c(cc1C)C)/C(=O)N2)C |
InChI | 1S/C16H16N2O/c1-9-4-5-14-12(6-9)13(16(19)18-14)8-15-10(2)7-11(3)17-15/h4-8,17H,1-3H3,(H,18,19)/b13-8
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InChIKey | KRYNNRXFWOEDRQ-JYRVWZFOSA-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 | 9651163 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | IGF1R | PDGFR | FLK-1 | ALL |
Pub Chem Link |
10562777
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Drug Bank Link | - |
ChemSpider Link | 8738165 |
ChEMBL Link | CHEMBL89483 |