DY131   

GtoPdb Ligand ID: 2834

Synonyms: DY-131 | GSK9089
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 64.93
Molecular weight 311.16
XLogP 4.64
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCN(c1ccc(cc1)C=NNC(=O)c1ccc(cc1)O)CC
Isomeric SMILES CCN(c1ccc(cc1)/C=N/NC(=O)c1ccc(cc1)O)CC
InChI InChI=1S/C18H21N3O2/c1-3-21(4-2)16-9-5-14(6-10-16)13-19-20-18(23)15-7-11-17(22)12-8-15/h5-13,22H,3-4H2,1-2H3,(H,20,23)/b19-13+
InChI Key WLKOCYWYAWBGKY-CPNJWEJPSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
Synonyms
DY-131 | GSK9089
Database Links
BindingDB Ligand 22439
CAS Registry No. 95167-41-2 (source: Scifinder)
ChEMBL Ligand CHEMBL192509
GtoPdb PubChem SID 135650213
PubChem CID 5497124
Search Google for chemical match using the InChIKey WLKOCYWYAWBGKY-CPNJWEJPSA-N
Search Google for chemicals with the same backbone WLKOCYWYAWBGKY
Search UniChem for chemical match using the InChIKey WLKOCYWYAWBGKY-CPNJWEJPSA-N
Search UniChem for chemicals with the same backbone WLKOCYWYAWBGKY

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Tocris
DY131
Cat. No. 2266