General Property |
Molceule ID (DB) | EGIN0001030 |
Inhibitor Class | Indolinone |
Molecule Name in Refrence Article | 1q compound |
IUPAC Name | ethyl 4-{[(3E)-5-(N',N'-dimethylhydrazinesulfonyl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2-carboxylate |
Formula | C23H28N4O7S |
Mass | 504.556 |
Exact Mass | 504.16787 |
Composition | C (54.75%), H (5.59%), N (11.1%), O (22.2%), S (6.36%) |
Atom Count | 63 |
PI | 4.59 |
Smiles | c12c(ccc(c1)S(=O)(=O)NN(C)C)NC(=O)/C/2=C/c1c(c([nH]c1C)C(=O)OCC)CC(=O)OCC |
InChI | 1S/C23H28N4O7S/c1-6-33-20(28)12-17-15(13(3)24-21(17)23(30)34-7-2)11-18-16-10-14(35(31,32)26-27(4)5)8
-9-19(16)25-22(18)29/h8-11,24,26H,6-7,12H2,1-5H3,(H,25,29)/b18-11+ |
InChIKey | ZJHCOAFDUWCPDU-WOJGMQOQSA-N |
2D Structure | ![](./image/EGIN0001030.png) | Structure Backbone | ![](./frame/f_EGIN0001030.png) |
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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 | 17184594 |
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 |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |