OPC-21268   Click here for help

GtoPdb Ligand ID: 2196

Synonyms: OPC 21268
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 78.95
Molecular weight 449.23
XLogP 2.77
No. Lipinski's rules broken 0
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Canonical SMILES CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2
Isomeric SMILES CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2
InChI InChI=1S/C26H31N3O4/c1-19(30)27-15-4-18-33-23-10-7-21(8-11-23)26(32)28-16-13-22(14-17-28)29-24-6-3-2-5-20(24)9-12-25(29)31/h2-3,5-8,10-11,22H,4,9,12-18H2,1H3,(H,27,30)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
OPC 21268
Database Links Click here for help
Specialist databases
GPCRdb Ligand OPC-21268
Other databases
BindingDB Ligand 50029644
CAS Registry No. 131631-89-5 (source: Scifinder)
ChEMBL Ligand CHEMBL296908
GtoPdb PubChem SID 135650773
PubChem CID 114904
Search Google for chemical match using the InChIKey KSNUCNRMDYJBKT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KSNUCNRMDYJBKT
UniChem Compound Search for chemical match using the InChIKey KSNUCNRMDYJBKT-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey KSNUCNRMDYJBKT-UHFFFAOYSA-N

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OPC 21268 (links to external site)
Cat. No. 3924