PDB CCD ID: | LL3 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C19 H19 N3 O2 S |
InChI: | InChI=1S/C19H19N3O2S/c23-17(13-14-5-2-1-3-6-14)22-10-8-15(9-11-22)19-20-18(21-24-19)16-7-4-12-25-16/h1-7,12,15H,8-11,13H2 |
InChIKey: | FNAMKJFTCMWMKP-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.7.0 | c1ccc(cc1)CC(=O)N2CCC(CC2)c3nc(no3)c4cccs4 | CACTVS 3.370 | O=C(Cc1ccccc1)N2CCC(CC2)c3onc(n3)c4sccc4 | ACDLabs 12.01 | O=C(N3CCC(c1onc(n1)c2sccc2)CC3)Cc4ccccc4 |
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Name: | 2-phenyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethanone |
ChEMBL: | CHEMBL1773785 |