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Chemical structure of IMPDH2-IN-2

GC70917

IMPDH2-IN-2

Also known as (2S)-2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide

IMPDH2-IN-2 is a potent inhibitor of inosine 5’-monophosphate dehydrogenase (IMPDH) with a Ki,app value of 14 μM, respectively

ChemicalCAS1434517-02-8MW428.27FormulaC21H15Cl2N3O3
CAS number
1434517-02-8
Molecular weight
428.27
Formula
C21H15Cl2N3O3
InChIKey
HRXGXBGJVNUGSX-LBPRGKRZSA-N
Catalogue number
GC70917
Brand
GLPBIO
Computed properties PubChem CID 71662081 · XLogP 4.9 · TPSA 77.3 Ų · H-bond donors 1
XLogP
4.9
TPSA
77.3 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
29

SMILES C[C@@H](C(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CC=NC=C3)OC4=C(C(=CC=C4)Cl)Cl

Computed descriptors from PubChem (CID 71662081), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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