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Chemical structure of MRGPRX2 modulator-1

GC75711

MRGPRX2 modulator-1

Also known as N-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

MRGPRX2 modulator-1 (example 17) is a mas-related g-protein receptor x2 (MRGPRX2) modulator

ChemicalCAS2781839-42-5MW459.39FormulaC20H19F6N5O
CAS number
2781839-42-5
Molecular weight
459.39
Formula
C20H19F6N5O
InChIKey
PXLXKUSZBOCYBD-UHFFFAOYSA-N
Catalogue number
GC75711
Brand
GLPBIO
Computed properties PubChem CID 163399556 · XLogP 4.2 · TPSA 82.7 Ų · H-bond donors 2
XLogP
4.2
TPSA
82.7 Ų
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
32

SMILES C1CC(CCC1NC2=CC(=C(C=C2)C#N)C(F)(F)F)NC(=O)C3=CN(N=C3)CC(F)(F)F

Computed descriptors from PubChem (CID 163399556), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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