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Chemical structure of Neurokinin antagonist 1

GC32020

Neurokinin antagonist 1

Also known as N-[(1R,2S)-2-[[(2R)-2-[methyl-[2-(4-methylphenyl)acetyl]amino]-3-naphthalen-2-ylpropanoyl]amino]cyclohexyl]-1H-indole-3-carboxamide

Neurokinin antagonist 1 is a Neurokinin antagonist extracted from patent WO1998045262A1

ChemicalCAS214487-45-3MW600.75FormulaC38H40N4O3
CAS number
214487-45-3
Molecular weight
600.75
Formula
C38H40N4O3
Solubility
Soluble in DMSO
InChIKey
JXDKAWGCUBTYFX-GVBYMILNSA-N
Catalogue number
GC32020
Brand
GLPBIO
Computed properties PubChem CID 9938627 · XLogP 6.7 · TPSA 94.3 Ų · H-bond donors 3
XLogP
6.7
TPSA
94.3 Ų
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
45

SMILES CC1=CC=C(C=C1)CC(=O)N(C)[C@H](CC2=CC3=CC=CC=C3C=C2)C(=O)N[C@H]4CCCC[C@H]4NC(=O)C5=CNC6=CC=CC=C65

Computed descriptors from PubChem (CID 9938627), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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