VU0650786   Click here for help

GtoPdb Ligand ID: 10237

Synonyms: VU 0650786 | VU-0650786
Compound class: Synthetic organic
Comment: mGlu3 receptor negative allosteric modulator.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 73.14
Molecular weight 387.09
XLogP 2.82
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc(nc1)OCc1nn2c(c1)C(=O)N(CC2C)c1cccnc1F
Isomeric SMILES Clc1ccc(nc1)OCc1nn2c(c1)C(=O)N(C[C@H]2C)c1cccnc1F
InChI InChI=1S/C18H15ClFN5O2/c1-11-9-24(14-3-2-6-21-17(14)20)18(26)15-7-13(23-25(11)15)10-27-16-5-4-12(19)8-22-16/h2-8,11H,9-10H2,1H3/t11-/m1/s1
InChI Key RXRVCJFGSOVYLG-LLVKDONJSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(7R)-2-{[(5-chloropyridin-2-yl)oxy]methyl}-5-(2-fluoropyridin-3-yl)-7-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one
Synonyms Click here for help
VU 0650786 | VU-0650786
Database Links Click here for help
CAS Registry No. 1809085-30-0
GtoPdb PubChem SID 381744919
PubChem CID 122190433
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