General Information of the Compound
| Compound ID |
CP0467870
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| Compound Name |
5-[4-[[4-(6-methylsulfonylpyridin-3-yl)phenoxy]methyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
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| Structure |
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| Formula |
C23H28N4O4S
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| Molecular Weight |
456.568
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| Canonical SMILES |
CC(C)c1noc(n1)N1CCC(COc2ccc(cc2)-c2ccc(nc2)S(C)(=O)=O)CC1
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| InChI |
InChI=1S/C23H28N4O4S/c1-16(2)22-25-23(31-26-22)27-12-10-17(11-13-27)15-30-20-7-4-18(5-8-20)19-6-9-21(24-14-19)32(3,28)29/h4-9,14,16-17H,10-13,15H2,1-3H3
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| InChIKey |
KRUFEDRQTHOFGS-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound