General Property |
Molceule ID (DB) | EGIN0001017 |
Inhibitor Class | Indolinone |
Molecule Name in Refrence Article | 1d compound |
IUPAC Name | methyl 4-{[(3E)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-3-(2-methoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2-carboxylate |
Formula | C19H17BrN2O5 |
Mass | 433.253 |
Exact Mass | 432.0320843 |
Composition | C (52.67%), H (3.95%), Br (18.44%), N (6.47%), O (18.46%) |
Atom Count | 44 |
PI | 4.56 |
Smiles | c12c(ccc(c1)Br)NC(=O)/C/2=C/c1c(c([nH]c1C)C(=O)OC)CC(=O)OC |
InChI | 1S/C19H17BrN2O5/c1-9-11(13(8-16(23)26-2)17(21-9)19(25)27-3)7-14-12-6-10(20)4-5-15(12)22-18(14)24/h4-
7,21H,8H2,1-3H3,(H,22,24)/b14-7+ |
InChIKey | XAZOSDZFBJFYFB-VGOFMYFVSA-N |
2D Structure | | Structure Backbone | |
|
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 | FGFR | PDGFR | VEGFR | ALL |
Pub Chem Link |
-
|
Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |