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Chemical structure of (Rac)-IDO1-IN-5

GC38876

(Rac)-IDO1-IN-5

Also known as 4-fluoro-N-[1-[1-(oxane-4-carbonyl)-2,3-dihydroindol-5-yl]ethyl]benzamide

(Rac)-IDO1-IN-5 (Example 1) is a racemate of IDO1-IN-5· IDO1-IN-5 is a potent, selective and brain penetrated inhibitor of Indoleamine 2,3-Dioxygenase 1 (IDO1) activity, binds to apo-IDO1 lacking heme rather than mature heme-bound IDO1

ChemicalCAS2166616-74-4MW396.45FormulaC23H25FN2O3
CAS number
2166616-74-4
Molecular weight
396.45
Formula
C23H25FN2O3
Solubility
Soluble in DMSO
InChIKey
NUBWFWVVKLRSHS-UHFFFAOYSA-N
Catalogue number
GC38876
Brand
GLPBIO
Computed properties PubChem CID 132209615 · XLogP 2.9 · TPSA 58.6 Ų · H-bond donors 1
XLogP
2.9
TPSA
58.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
29

SMILES CC(C1=CC2=C(C=C1)N(CC2)C(=O)C3CCOCC3)NC(=O)C4=CC=C(C=C4)F

Computed descriptors from PubChem (CID 132209615), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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