WAY-207024   Click here for help

GtoPdb Ligand ID: 5582

Synonyms: WAY 207024
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 1
Rotatable bonds 5
Topological polar surface area 60.94
Molecular weight 476.27
XLogP 5.71
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CC(c1ccc(cc1)c1[nH]c2c(n1)cccc2N1CCN(CC1)Cc1ccc2c(c1)nccn2)(C)C
Isomeric SMILES CC(c1ccc(cc1)c1[nH]c2c(n1)cccc2N1CCN(CC1)Cc1ccc2c(c1)nccn2)(C)C
InChI InChI=1S/C30H32N6/c1-30(2,3)23-10-8-22(9-11-23)29-33-25-5-4-6-27(28(25)34-29)36-17-15-35(16-18-36)20-21-7-12-24-26(19-21)32-14-13-31-24/h4-14,19H,15-18,20H2,1-3H3,(H,33,34)
InChI Key AVEVJMZJJJDOCI-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]quinoxaline
Synonyms Click here for help
WAY 207024
Database Links Click here for help
Specialist databases
GPCRdb Ligand WAY-207024
Other databases
CAS Registry No. 872002-72-7 (source: Scifinder)
ChEMBL Ligand CHEMBL474991
GtoPdb PubChem SID 178102217
PubChem CID 11496610
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UniChem Connectivity Search for chemical match using the InChIKey AVEVJMZJJJDOCI-UHFFFAOYSA-N