General Information of the Compound
| Compound ID |
CP0408798
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| Compound Name |
N-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
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| Structure |
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| Formula |
C23H27ClN2O3S
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| Molecular Weight |
447
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| Canonical SMILES |
CSCCC(NC(=O)c1ccccc1)C(=O)N1CCC(O)(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H27ClN2O3S/c1-30-16-11-20(25-21(27)17-5-3-2-4-6-17)22(28)26-14-12-23(29,13-15-26)18-7-9-19(24)10-8-18/h2-10,20,29H,11-16H2,1H3,(H,25,27)
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| InChIKey |
WRSQLCTWJSBKIA-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