SHA 68   

GtoPdb Ligand ID: 5813

Synonyms: SHA-68 | SHA68
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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
SMILES / InChI / InChIKey
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)
InChI Key SFRQIPRTNYHJHP-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N-[(4-fluorophenyl)methyl]-3-oxo-1,1-di(phenyl)-5,6,8,8a-tetrahydro-[1,3]oxazolo[4,3-c]pyrazine-7-carboxamide
Synonyms
SHA-68 | SHA68
Database Links
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
Search UniChem for chemical match using the InChIKey SFRQIPRTNYHJHP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SFRQIPRTNYHJHP
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Tocris
SHA 68
Cat. No. 4510