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Chemical structure of DKI5

GC71109

DKI5

Also known as 1-amino-3-[(E)-benzylideneamino]thiourea

DKI5, also known as (E)-N’-benzylidenehydrazinecarbothiohydrazide, is a LOX-1inhibitor with an IC50 value of 22·5 μM

ChemicalCAS1101130-96-4MW194.26FormulaC8H10N4S
CAS number
1101130-96-4
Molecular weight
194.26
Formula
C8H10N4S
Solubility
DMSO ： 50 mg/mL (257·39 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
IZAXVUNREMHNOM-UXBLZVDNSA-N
Catalogue number
GC71109
Brand
GLPBIO
Computed properties PubChem CID 9576136 · XLogP 1.5 · TPSA 94.5 Ų · H-bond donors 3
XLogP
1.5
TPSA
94.5 Ų
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13

SMILES C1=CC=C(C=C1)/C=N/NC(=S)NN

Computed descriptors from PubChem (CID 9576136), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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