AG-26   Click here for help

GtoPdb Ligand ID: 6268

Synonyms: AG 26 | AG26
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 50.36
Molecular weight 304.1
XLogP 3.32
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc(cc1)CCNC(=O)Nc1ccc(cc1)Cl
Isomeric SMILES COc1ccc(cc1)CCNC(=O)Nc1ccc(cc1)Cl
InChI InChI=1S/C16H17ClN2O2/c1-21-15-8-2-12(3-9-15)10-11-18-16(20)19-14-6-4-13(17)5-7-14/h2-9H,10-11H2,1H3,(H2,18,19,20)
InChI Key OVFMMJNKICPJJH-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-(4-chlorophenyl)-1-[2-(4-methoxyphenyl)ethyl]urea
Synonyms Click here for help
AG 26 | AG26
Database Links Click here for help
ChEMBL Ligand CHEMBL1289260
GtoPdb PubChem SID 178102888
PubChem CID 727787
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