AG-14   Click here for help

GtoPdb Ligand ID: 5835

Synonyms: AG 14 | AG14
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 1
Rotatable bonds 8
Topological polar surface area 78.38
Molecular weight 404.14
XLogP 5.02
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc(C=NNC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1
Isomeric SMILES COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1
InChI InChI=1S/C23H20N2O5/c1-27-21-11-17(7-9-19(21)28-14-16-5-3-2-4-6-16)13-24-25-23(26)18-8-10-20-22(12-18)30-15-29-20/h2-13H,14-15H2,1H3,(H,25,26)/b24-13+
InChI Key ULOKADSYVZOTTL-ZMOGYAJESA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[[3-methoxy-4-(phenylmethoxy)phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide
Synonyms Click here for help
AG 14 | AG14
Database Links Click here for help
Specialist databases
GPCRdb Ligand AG-14
Other databases
ChEMBL Ligand CHEMBL1290251
GtoPdb PubChem SID 178102460
PubChem CID 9618971
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UniChem Compound Search for chemical match using the InChIKey ULOKADSYVZOTTL-ZMOGYAJESA-N
UniChem Connectivity Search for chemical match using the InChIKey ULOKADSYVZOTTL-ZMOGYAJESA-N