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Chemical structure of KCL-286

GC74855

KCL-286

Also known as 4-[5-(4,7-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid

Anticancer agent 168 is an orally active retinoic acid receptor (RAR/RXR) beta2 agonist with ameliorating effects on spinal cord injury (SCI)

ChemicalCAS1952276-71-9MW334.33FormulaC19H14N2O4
CAS number
1952276-71-9
Molecular weight
334.33
Formula
C19H14N2O4
Solubility
DMSO： 6·25 mg/mL (18·69 mM; ultrasonic and warming and heat to 60°C)
InChIKey
AVCXUODHLRZJJP-UHFFFAOYSA-N
Catalogue number
GC74855
Brand
GLPBIO
Computed properties PubChem CID 121414283 · XLogP 4.2 · TPSA 89.4 Ų · H-bond donors 1
XLogP
4.2
TPSA
89.4 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
25

SMILES CC1=C2C=C(OC2=C(C=C1)C)C3=NC(=NO3)C4=CC=C(C=C4)C(=O)O

Computed descriptors from PubChem (CID 121414283), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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