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Chemical structure of DHODH-IN-12

GC70741

DHODH-IN-12

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

DHODH-IN-12 (Compound 12b) is a Leflunomide derivative and a weak dihydroorotate dehydrogenase (DHODH) inhibitor with a pKa of 5·07

ChemicalCAS1263303-93-0MW203.2FormulaC10H9N3O2
CAS number
1263303-93-0
Molecular weight
203.2
Formula
C10H9N3O2
InChIKey
TUUSDSUFAQPEOW-UKTHLTGXSA-N
Catalogue number
GC70741
Brand
GLPBIO
Computed properties PubChem CID 6911709 · XLogP 2.9 · TPSA 85.5 Ų · H-bond donors 2
XLogP
2.9
TPSA
85.5 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
15

SMILES CC1=CC=C(C=C1)NC(=O)/C(=N/O)/C#N

Computed descriptors from PubChem (CID 6911709), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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