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Chemical structure of DUBs-IN-3

GC10356

DUBs-IN-3

Also known as (9E)-9-prop-2-enoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile

DUBs-IN-3 is a potent deubiquitinase (USP) enzyme inhibitor extracted from reference compound 22c with an IC50 of 0·56 μM for USP8

ChemicalCAS924296-17-3MW287.28FormulaC16H9N5O
CAS number
924296-17-3
Molecular weight
287.28
Formula
C16H9N5O
Solubility
Soluble in DMSO
InChIKey
XLOXSIKLUAMDGU-RCCKNPSSSA-N
Catalogue number
GC10356
Brand
GLPBIO
Computed properties PubChem CID 16065489 · XLogP 2.6 · TPSA 95 Ų · H-bond donors 0
XLogP
2.6
TPSA
95 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
22

SMILES C=CCO/N=C/1\C2=CC=CC=C2C3=NC(=C(N=C31)C#N)C#N

Computed descriptors from PubChem (CID 16065489), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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