General Property |
Molceule ID (DB) | EGIN0003801 |
Inhibitor Class | Indolinone |
Molecule Name in Refrence Article | 11c compound |
IUPAC Name | 3-(4-methyl-5-{[(3Z)-2-oxo-5-sulfamoyl-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-pyrrol-3-yl)propanoic acid |
Formula | C17H17N3O5S |
Mass | 375.399 |
Exact Mass | 375.0888914 |
Composition | C (54.39%), H (4.56%), N (11.19%), O (21.31%), S (8.54%) |
Atom Count | 43 |
PI | 0.92 |
Smiles | C1(=C/c2[nH]cc(c2C)CCC(=O)O)/C(=O)Nc2c1cc(S(=O)(=O)N)cc2 |
InChI | 1S/C17H17N3O5S/c1-9-10(2-5-16(21)22)8-19-15(9)7-13-12-6-11(26(18,24)25)3-4-14(12)20-17(13)23/h3-4,6-
8,19H,2,5H2,1H3,(H,20,23)(H,21,22)(H2,18,24,25)/b13-7- |
InChIKey | YLOCIDYFMMJTMC-QPEQYQDCSA-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 | 10602697 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | FGFR1 | PDGFR beta | VEGFR2 | ALL |
Pub Chem Link |
5329140
|
Drug Bank Link | - |
ChemSpider Link | 4486302 |
ChEMBL Link | CHEMBL146697 |