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Chemical structure of BMT-145027

GC31081

BMT-145027

Also known as 3-[4-chloro-3-(trifluoromethyl)phenyl]-4-cyclopropyl-6-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

BMT-145027 is an mGluR5 positive allosteric modulator without inherent agonist activity, exhibits an EC50 of 47 nM

ChemicalCAS2018282-44-3MW438.83FormulaC23H14ClF3N4
CAS number
2018282-44-3
Molecular weight
438.83
Formula
C23H14ClF3N4
Solubility
DMSO ： 2·4 mg/mL (5·47 mM)
InChIKey
UXLUNMKSQUMWLH-UHFFFAOYSA-N
Catalogue number
GC31081
Brand
GLPBIO
Computed properties PubChem CID 129012190 · XLogP 6.3 · TPSA 65.4 Ų · H-bond donors 1
XLogP
6.3
TPSA
65.4 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
31

SMILES C1CC1C2=C(C(=NC3=NNC(=C23)C4=CC(=C(C=C4)Cl)C(F)(F)F)C5=CC=CC=C5)C#N

Computed descriptors from PubChem (CID 129012190), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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