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Chemical structure of CRN04894

GC71439

CRN04894

Also known as N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(2-ethoxyphenyl)-3-[(2R)-2-ethyl-4-[1-(trifluoromethyl)cyclobutanecarbonyl]piperazin-1-yl]pyridine-2-carboxamide

CRN04894 (compound 17h) is an orally active MC2R antagonist that demonstrates in vivo efficacy in rat model of adrenocorticotropic hormone (ACTH)-stimulated corticosterone secretion

ChemicalCAS2392970-97-5MW613.71FormulaC33H42F3N5O3
CAS number
2392970-97-5
Molecular weight
613.71
Formula
C33H42F3N5O3
InChIKey
QJRFBKYETDVAJQ-ZEQKJWHPSA-N
Catalogue number
GC71439
Brand
GLPBIO
Computed properties PubChem CID 146361282 · XLogP 5.4 · TPSA 78 Ų · H-bond donors 1
XLogP
5.4
TPSA
78 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
44

SMILES CC[C@@H]1CN(CCN1C2=C(N=C(C=C2)C3=CC=CC=C3OCC)C(=O)N[C@@H]4CN5CCC4CC5)C(=O)C6(CCC6)C(F)(F)F

Computed descriptors from PubChem (CID 146361282), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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