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Chemical structure of VU0483605

GC11667

VU0483605

Also known as 3-chloro-N-[3-chloro-4-(4-chloro-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide

elective positive allosteric modulator (PAM) of mGluR1

ChemicalCAS1623101-11-0MW446.7FormulaC20H10Cl3N3O3
CAS number
1623101-11-0
Molecular weight
446.7
Formula
C20H10Cl3N3O3
Solubility
≤20mg/ml in DMSO;20mg/ml in dimethyl formamide
InChIKey
HJQXPBKPTGWZCF-UHFFFAOYSA-N
Catalogue number
GC11667
Brand
GLPBIO
Computed properties PubChem CID 91885483 · XLogP 4.4 · TPSA 79.4 Ų · H-bond donors 1
XLogP
4.4
TPSA
79.4 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
29

SMILES C1=CC2=C(C(=C1)Cl)C(=O)N(C2=O)C3=C(C=C(C=C3)NC(=O)C4=C(C=CC=N4)Cl)Cl

Computed descriptors from PubChem (CID 91885483), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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