VU0364289   Click here for help

GtoPdb Ligand ID: 6424

Synonyms: VU 0364289
Compound class: Synthetic organic
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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 6
Topological polar surface area 56.57
Molecular weight 335.16
XLogP 2.7
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES N#Cc1ccccc1N1CCN(CC1)C(=O)COCc1ccccc1
Isomeric SMILES N#Cc1ccccc1N1CCN(CC1)C(=O)COCc1ccccc1
InChI InChI=1S/C20H21N3O2/c21-14-18-8-4-5-9-19(18)22-10-12-23(13-11-22)20(24)16-25-15-17-6-2-1-3-7-17/h1-9H,10-13,15-16H2
InChI Key LTPGKAICNBCBPT-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-{4-[2-(benzyloxy)acetyl]piperazin-1-yl}benzonitrile
Synonyms Click here for help
VU 0364289
Database Links Click here for help
CAS Registry No. 1242443-29-3 (source: Scifinder)
ChEMBL Ligand CHEMBL1688365
GtoPdb PubChem SID 178103040
PubChem CID 46865097
Search Google for chemical match using the InChIKey LTPGKAICNBCBPT-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey LTPGKAICNBCBPT-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey LTPGKAICNBCBPT-UHFFFAOYSA-N