CL82198   Click here for help

GtoPdb Ligand ID: 5170

Synonyms: CL 82198 | CL-82198
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 54.71
Molecular weight 302.16
XLogP 1.65
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(c1cc2c(o1)cccc2)NCCCCN1CCOCC1
Isomeric SMILES O=C(c1cc2c(o1)cccc2)NCCCCN1CCOCC1
InChI InChI=1S/C17H22N2O3/c20-17(16-13-14-5-1-2-6-15(14)22-16)18-7-3-4-8-19-9-11-21-12-10-19/h1-2,5-6,13H,3-4,7-12H2,(H,18,20)
InChI Key KUJQEQAVMNFFAO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[4-(morpholin-4-yl)butyl]-1-benzofuran-2-carboxamide
Synonyms Click here for help
CL 82198 | CL-82198
Database Links Click here for help
CAS Registry No. 307002-71-7
ChEMBL Ligand CHEMBL116757
GtoPdb PubChem SID 178101860
PubChem CID 2777
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