MK 6892   

GtoPdb Ligand ID: 5788

Synonyms: MK-6892
Compound class: Synthetic organic
Comment: The PubChem entry linked to in the table above shows a different tautomer.
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 138.44
Molecular weight 386.16
XLogP 1.52
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Oc1ccc(nc1)c1noc(n1)CC(C(=O)NC1=C(CCCC1)C(=O)O)(C)C
Isomeric SMILES Oc1ccc(nc1)c1noc(n1)CC(C(=O)NC1=C(CCCC1)C(=O)O)(C)C
InChI InChI=1S/C19H22N4O5/c1-19(2,18(27)21-13-6-4-3-5-12(13)17(25)26)9-15-22-16(23-28-15)14-8-7-11(24)10-20-14/h7-8,10,24H,3-6,9H2,1-2H3,(H,21,27)(H,25,26)
InChI Key CJHXBFSJXDUJHP-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-[[3-[3-(5-hydroxy-1,2-dihydropyridin-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropanoyl]amino]cyclohexene-1-carboxylic acid
Synonyms
MK-6892
Database Links
CAS Registry No. 917910-45-3
ChEMBL Ligand CHEMBL1086657
GtoPdb PubChem SID 178102413
PubChem CID 73755154
Search Google for chemical match using the InChIKey CJHXBFSJXDUJHP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CJHXBFSJXDUJHP
Search UniChem for chemical match using the InChIKey CJHXBFSJXDUJHP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CJHXBFSJXDUJHP