MK 1903   Click here for help

GtoPdb Ligand ID: 5785

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 2
Rotatable bonds 1
Topological polar surface area 65.98
Molecular weight 164.06
XLogP 0.87
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)c1n[nH]c2c1CC1C2C1
Isomeric SMILES OC(=O)c1n[nH]c2c1CC1C2C1
InChI InChI=1S/C8H8N2O2/c11-8(12)7-5-2-3-1-4(3)6(5)9-10-7/h3-4H,1-2H2,(H,9,10)(H,11,12)
InChI Key CUTZNERBKDMLAP-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Database Links Click here for help
Specialist databases
GPCRdb Ligand MK 1903
Other databases
ChEMBL Ligand CHEMBL2059221
GtoPdb PubChem SID 178102410
PubChem CID 11607970
Search Google for chemical match using the InChIKey CUTZNERBKDMLAP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CUTZNERBKDMLAP
UniChem Compound Search for chemical match using the InChIKey CUTZNERBKDMLAP-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey CUTZNERBKDMLAP-UHFFFAOYSA-N