General Information of the Compound
| Compound ID |
CP0528727
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| Compound Name |
N-((2R,3S)-1-acetyl-2-(((cis-4- phenylcyclohexyl)oxy)methyl)- piperidin-3-yl)methanesulfonamide
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| Formula |
C21H32N2O4S
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| Molecular Weight |
408.564
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| Canonical SMILES |
CC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1
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| InChI |
InChI=1S/C21H32N2O4S/c1-16(24)23-14-6-9-20(22-28(2,25)26)21(23)15-27-19-12-10-18(11-13-19)17-7-4-3-5-8-17/h3-5,7-8,18-22H,6,9-15H2,1-2H3/t18-,19+,20-,21-/m0/s1
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| InChIKey |
JYJTZUGIUWJJIK-WOZUAGRISA-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