FUB 349   Click here for help

GtoPdb Ligand ID: 1259

Synonyms: FUB-349 | FUB349
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 28.68
Molecular weight 200.13
XLogP 3.03
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES c1ccc(cc1)CCCCc1cnc[nH]1
Isomeric SMILES c1ccc(cc1)CCCCc1cnc[nH]1
InChI InChI=1S/C13H16N2/c1-2-6-12(7-3-1)8-4-5-9-13-10-14-11-15-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,14,15)
InChI Key BQTXNCXSCSNHGA-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-(4-phenylbutyl)-3H-imidazole
Synonyms Click here for help
FUB-349 | FUB349
Database Links Click here for help
BindingDB Ligand 50071197
CAS Registry No. 184023-52-7 (source: Scifinder)
ChEMBL Ligand CHEMBL296450
GtoPdb PubChem SID 135650291
PubChem CID 9990388
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