XEN907   Click here for help

GtoPdb Ligand ID: 5732

Synonyms: XEN 907 | XEN-907
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 0
Rotatable bonds 4
Topological polar surface area 48
Molecular weight 351.15
XLogP 3.99
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCN1c2ccccc2C2(C1=O)COc1c2cc2OCOc2c1
Isomeric SMILES CCCCCN1c2ccccc2C2(C1=O)COc1c2cc2OCOc2c1
InChI InChI=1S/C21H21NO4/c1-2-3-6-9-22-16-8-5-4-7-14(16)21(20(22)23)12-24-17-11-19-18(10-15(17)21)25-13-26-19/h4-5,7-8,10-11H,2-3,6,9,12-13H2,1H3
InChI Key PHMRUZIIERITEP-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1'-pentylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
Synonyms Click here for help
XEN 907 | XEN-907
Database Links Click here for help
CAS Registry No. 912656-34-9 (source: Scifinder)
ChEMBL Ligand CHEMBL1780061
GtoPdb PubChem SID 178102358
PubChem CID 11998198
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