VU0483605   Click here for help

GtoPdb Ligand ID: 10009

Synonyms: VU 0483605 | VU-0483605
Compound class: Synthetic organic
Comment: Positive allosteric modulator at mGlu1.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 79.37
Molecular weight 444.98
XLogP 4.37
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1cc(ccc1N1C(=O)c2c(C1=O)c(Cl)ccc2)NC(=O)c1ncccc1Cl
Isomeric SMILES Clc1cc(ccc1N1C(=O)c2c(C1=O)c(Cl)ccc2)NC(=O)c1ncccc1Cl
InChI InChI=1S/C20H10Cl3N3O3/c21-12-4-1-3-11-16(12)20(29)26(19(11)28)15-7-6-10(9-14(15)23)25-18(27)17-13(22)5-2-8-24-17/h1-9H,(H,25,27)
InChI Key HJQXPBKPTGWZCF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-Chloro-N-[3-chloro-4-(4-chloro-1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]-2-pyridinecarboxamide
Synonyms Click here for help
VU 0483605 | VU-0483605
Database Links Click here for help
CAS Registry No. 1623101-11-0
GtoPdb PubChem SID 374883896
PubChem CID 91885483
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Tocris
VU 0483605
Cat. No. 5377