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Chemical structure of CID-5721353

GC19436

CID-5721353

Also known as 2-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]butanedioic acid

CID5721353 is an inhibitor of BCL6 with an IC50 value of 212 μM, which corresponds to a Ki of 147 μM

ChemicalCAS301356-95-6MW457.3FormulaC15H9BrN2O6S2
CAS number
301356-95-6
Molecular weight
457.3
Formula
C15H9BrN2O6S2
Solubility
Soluble in DMSO
InChIKey
UMZWNADQRDCKII-UHFFFAOYSA-N
Catalogue number
GC19436
Brand
GLPBIO
Computed properties PubChem CID 3800971 · XLogP 1.1 · TPSA 185 Ų · H-bond donors 3
XLogP
1.1
TPSA
185 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
26

SMILES C1=CC2=NC(=O)C(=C2C=C1Br)C3=C(N(C(=S)S3)C(CC(=O)O)C(=O)O)O

Computed descriptors from PubChem (CID 3800971), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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