General Property |
Molceule ID (DB) | EGIN0001033 |
Inhibitor Class | Indolinone |
Molecule Name in Refrence Article | 1t compound |
IUPAC Name | ethyl 4-{[(3E)-5-[(3-bromophenyl)sulfamoyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2-carboxylate |
Formula | C27H26BrN3O7S |
Mass | 616.48 |
Exact Mass | 615.0674835 |
Composition | C (52.6%), H (4.25%), Br (12.96%), N (6.82%), O (18.17%), S (5.2%) |
Atom Count | 65 |
PI | 2.86 |
Smiles | c12c(ccc(c1)S(=O)(=O)Nc1cc(ccc1)Br)NC(=O)/C/2=C/c1c(c([nH]c1C)C(=O)OCC)CC(=O)OCC |
InChI | 1S/C27H26BrN3O7S/c1-4-37-24(32)14-21-19(15(3)29-25(21)27(34)38-5-2)13-22-20-12-18(9-10-23(20)30-26(2
2)33)39(35,36)31-17-8-6-7-16(28)11-17/h6-13,29,31H,4-5,14H2,1-3H3,(H,30,33)/b22-13+ |
InChIKey | WKUWBJXGMUHMCR-LPYMAVHISA-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 | 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 |
9600749
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |