VU0409551   Click here for help

GtoPdb Ligand ID: 11437

Synonyms: JNJ-46778212 | JNJ46778212
Compound class: Synthetic organic
Comment: VU0409551 is a mGlu5 positive allosteric modulator (PAM) [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 55.57
Molecular weight 352.12
XLogP 3.14
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Fc1ccc(cc1)C(=O)N1CCc2c(C1)oc(n2)COc1ccccc1
Isomeric SMILES Fc1ccc(cc1)C(=O)N1CCc2c(C1)oc(n2)COc1ccccc1
InChI InChI=1S/C20H17FN2O3/c21-15-8-6-14(7-9-15)20(24)23-11-10-17-18(12-23)26-19(22-17)13-25-16-4-2-1-3-5-16/h1-9H,10-13H2
InChI Key QUZLMKNNIUSREV-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(4-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
Synonyms Click here for help
JNJ-46778212 | JNJ46778212
Database Links Click here for help
CAS Registry No. 1363281-27-9 (source: PubChem)
GtoPdb PubChem SID 440816806
PubChem CID 56846694
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