PI 3-Kg inhibitor   

GtoPdb Ligand ID: 6023

Synonyms: AS 605240 | AS-605240
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 97.25
Molecular weight 257.03
XLogP 0.41
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C1NC(=O)C(=Cc2ccc3c(c2)nccn3)S1
Isomeric SMILES O=C1NC(=O)/C(=C/c2ccc3c(c2)nccn3)/S1
InChI InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)/b10-6-
InChI Key SQWZFLMPDUSYGV-POHAHGRESA-N
Classification
Compound class Synthetic organic
IUPAC Name
(5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione
Synonyms
AS 605240 | AS-605240
Database Links
CAS Registry No. 648450-29-7
ChEMBL Ligand CHEMBL568150
DrugBank Ligand DB04769
GtoPdb PubChem SID 178102645
PubChem CID 5289247
RCSB PDB Ligand QYT
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SynPHARM 80524 (in complex with phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma)

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Tocris
AS 605240
Cat. No. 3578