General Property |
Molceule ID (DB) | EGIN0003745 |
Inhibitor Class | Indolinone |
Molecule Name in Refrence Article | 63 compound |
IUPAC Name | (3Z)-3-[(4-chloro-1-methyl-1H-pyrazol-3-yl)methylidene]-2,3-dihydro-1H-indol-2-one |
Formula | C13H10ClN3O |
Mass | 259.691 |
Exact Mass | 259.0512397 |
Composition | C (60.12%), H (3.88%), Cl (13.65%), N (16.18%), O (6.16%) |
Atom Count | 28 |
PI | 6.22 |
Smiles | C1(=C/c2nn(cc2Cl)C)/C(=O)Nc2c1cccc2 |
InChI | 1S/C13H10ClN3O/c1-17-7-10(14)12(16-17)6-9-8-4-2-3-5-11(8)15-13(9)18/h2-7H,1H3,(H,15,18)/b9-6- |
InChIKey | CWXPHBALXZAFCS-TWGQIWQCSA-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 | FLK-1 | IGF1R | PDGFR | ALL |
Pub Chem Link |
49823628
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Drug Bank Link | - |
ChemSpider Link | 23176520 |
ChEMBL Link | CHEMBL89646 |