GSK-3 inhibitor X   

GtoPdb Ligand ID: 5975

Synonyms: indirubin deriv. 8a [3]
Compound class: Synthetic organic
Comment: Please note that ChEMBL represents this compound as a tautomer of our structure.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 79.79
Molecular weight 397.01
XLogP 3.66
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CC(=O)ONC1=c2ccccc2=NC1=C1C(=O)Nc2c1ccc(c2)Br
Isomeric SMILES CC(=O)ONC1=c2ccccc2=N/C/1=C/1\C(=O)Nc2c1ccc(c2)Br
InChI InChI=1S/C18H12BrN3O3/c1-9(23)25-22-16-12-4-2-3-5-13(12)20-17(16)15-11-7-6-10(19)8-14(11)21-18(15)24/h2-8,22H,1H3,(H,21,24)/b17-15-
InChI Key ORWSYHWTBSHFIV-ICFOKQHNSA-N
Classification
Compound class Synthetic organic
IUPAC Name
[2-(6-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene)-2H-indol-3-yl]amino acetate
Synonyms
indirubin deriv. 8a [3]
Database Links
CAS Registry No. 740841-15-0
ChEMBL Ligand CHEMBL430226
GtoPdb PubChem SID 178102598
PubChem CID 6538818
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