CGP 71683A   Click here for help

GtoPdb Ligand ID: 1562

Synonyms: CGP-71683A | CGP71683A | GNF-Pf-1864 | TCMDC-124251
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 118.38
Molecular weight 475.2
XLogP 4.98
No. Lipinski's rules broken 0
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Canonical SMILES Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2
Isomeric SMILES Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2
InChI InChI=1S/C26H29N5O2S/c27-25-22-9-3-4-10-23(22)30-26(31-25)28-16-18-12-14-19(15-13-18)17-29-34(32,33)24-11-5-7-20-6-1-2-8-21(20)24/h1-11,18-19,29H,12-17H2,(H3,27,28,30,31)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
CGP-71683A | CGP71683A | GNF-Pf-1864 | TCMDC-124251
Database Links Click here for help
Specialist databases
GPCRdb Ligand CGP 71683A
Other databases
BindingDB Ligand 50089038
CAS Registry No. 192321-23-6 (source: Scifinder)
ChEMBL Ligand CHEMBL195380
GtoPdb PubChem SID 135650078
PubChem CID 5312114
Search Google for chemical match using the InChIKey UULIGRNKXHCLQN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UULIGRNKXHCLQN
UniChem Compound Search for chemical match using the InChIKey UULIGRNKXHCLQN-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey UULIGRNKXHCLQN-UHFFFAOYSA-N