YC-1   Click here for help

GtoPdb Ligand ID: 5291

Synonyms: 3-(5′-hydroxymethyl-2′furyl)-1-benzyl-indazole | YC1
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 51.19
Molecular weight 304.12
XLogP 3.42
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCc1ccc(o1)c1nn(c2c1cccc2)Cc1ccccc1
Isomeric SMILES OCc1ccc(o1)c1nn(c2c1cccc2)Cc1ccccc1
InChI InChI=1S/C19H16N2O2/c22-13-15-10-11-18(23-15)19-16-8-4-5-9-17(16)21(20-19)12-14-6-2-1-3-7-14/h1-11,22H,12-13H2
InChI Key OQQVFCKUDYMWGV-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
[5-(1-benzyl-1H-indazol-3-yl)furan-2-yl]methanol
Synonyms Click here for help
3-(5′-hydroxymethyl-2′furyl)-1-benzyl-indazole | YC1
Database Links Click here for help
CAS Registry No. 170632-47-0
ChEMBL Ligand CHEMBL333985
GtoPdb PubChem SID 178101974
PubChem CID 5712
RCSB PDB Ligand YC1
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Tocris
YC 1
Cat. No. 4307