GR 127935   

GtoPdb Ligand ID: 14

Synonyms: GR-127935 | GR127935
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 83.73
Molecular weight 497.24
XLogP 5.62
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES COc1ccc(cc1N1CCN(CC1)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C
Isomeric SMILES COc1ccc(cc1N1CCN(CC1)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C
InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
InChI Key YDBCEBYHYKAFRX-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
Synonyms
GR-127935 | GR127935
Database Links
BindingDB Ligand 50084956
CAS Registry No. 148672-13-3 (source: Scifinder)
ChEMBL Ligand CHEMBL15928
GtoPdb PubChem SID 135650312
PubChem CID 107780
Search Google for chemical match using the InChIKey YDBCEBYHYKAFRX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YDBCEBYHYKAFRX
Search UniChem for chemical match using the InChIKey YDBCEBYHYKAFRX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YDBCEBYHYKAFRX
Wikipedia GR-127,935