SHA 68   Click here for help

GtoPdb Ligand ID: 5813

Synonyms: SHA-68 | SHA68
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 6
Topological polar surface area 61.88
Molecular weight 445.18
XLogP 4.17
No. Lipinski's rules broken 0
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Canonical SMILES Fc1ccc(cc1)CNC(=O)N1CCN2C(C1)C(OC2=O)(c1ccccc1)c1ccccc1
Isomeric SMILES Fc1ccc(cc1)CNC(=O)N1CCN2C(C1)C(OC2=O)(c1ccccc1)c1ccccc1
InChI InChI=1S/C26H24FN3O3/c27-22-13-11-19(12-14-22)17-28-24(31)29-15-16-30-23(18-29)26(33-25(30)32,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18H2,(H,28,31)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
SHA-68 | SHA68
Database Links Click here for help
Specialist databases
GPCRdb Ligand SHA 68
Other databases
ChEMBL Ligand CHEMBL469695
GtoPdb PubChem SID 178102438
PubChem CID 11374217
Search Google for chemical match using the InChIKey SFRQIPRTNYHJHP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SFRQIPRTNYHJHP
UniChem Compound Search for chemical match using the InChIKey SFRQIPRTNYHJHP-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey SFRQIPRTNYHJHP-UHFFFAOYSA-N
Wikipedia SHA-68

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SHA 68 (links to external site)
Cat. No. 4510