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Chemical structure of DHODH-IN-11

GC60763

DHODH-IN-11

Also known as (2E)-2-cyano-2-hydroxyimino-N-(4-phenylphenyl)acetamide

DHODH-IN-11 (Compound 14b) is a Leflunomide derivative and a weak dihydroorotate dehydrogenase (DHODH) inhibitor with a pKa of 5·03

ChemicalCAS1263303-95-2MW265.27FormulaC15H11N3O2
CAS number
1263303-95-2
Molecular weight
265.27
Formula
C15H11N3O2
Solubility
DMSO： 125 mg/mL (471·22 mM)
InChIKey
YFGFEIDPJVPFOM-NBVRZTHBSA-N
Catalogue number
GC60763
Brand
GLPBIO
Computed properties PubChem CID 51031365 · XLogP 4.1 · TPSA 85.5 Ų · H-bond donors 2
XLogP
4.1
TPSA
85.5 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20

SMILES C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)/C(=N/O)/C#N

Computed descriptors from PubChem (CID 51031365), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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