NNC-711   

GtoPdb Ligand ID: 4669

Synonyms: NO-711
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 62.13
Molecular weight 350.16
XLogP 4.05
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)C1=CCCN(C1)CCON=C(c1ccccc1)c1ccccc1
Isomeric SMILES OC(=O)C1=CCCN(C1)CCO/N=C(\c1ccccc1)/c1ccccc1
InChI InChI=1S/C21H22N2O3/c24-21(25)19-12-7-13-23(16-19)14-15-26-22-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12H,7,13-16H2,(H,24,25)
InChI Key NGNALWDRPKNJGR-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
1-(2-{[(diphenylmethylidene)amino]oxy}ethyl)-1,2,5,6-tetrahydropyridine-3-carboxylic acid
Synonyms
NO-711
Database Links
CAS Registry No. 159094-94-7 (source: Scifinder)
ChEMBL Ligand CHEMBL473104
GtoPdb PubChem SID 178101384
PubChem CID 4515
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Wikipedia NNC-711