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Chemical structure of UK4b

GC75769

UK4b

Also known as 5-[[3-chloro-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione

UK4b is a highly selective microsomal prostaglandin E2 synthase-1 (mPGES-1) inhibitor

ChemicalCAS2171000-87-4MW404.89FormulaC21H25ClN2O4
CAS number
2171000-87-4
Molecular weight
404.89
Formula
C21H25ClN2O4
InChIKey
WNVDLSYMUWMZRX-UHFFFAOYSA-N
Catalogue number
GC75769
Brand
GLPBIO
Computed properties PubChem CID 145432964 · XLogP 5.6 · TPSA 84.5 Ų · H-bond donors 2
XLogP
5.6
TPSA
84.5 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
28

SMILES C1CCC(CC1)CCCCOC2=C(C=C(C=C2)C=C3C(=O)NC(=O)NC3=O)Cl

Computed descriptors from PubChem (CID 145432964), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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