General Information of the Compound
| Compound ID |
CP0396279
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| Compound Name |
1-(4-(3-(piperidin-1-yl)propoxy)benzyl)piperidin-4-yl methanesulfonate
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| Structure |
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| Formula |
C21H34N2O4S
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| Molecular Weight |
410.58
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| Canonical SMILES |
CS(=O)(=O)OC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
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| InChI |
InChI=1S/C21H34N2O4S/c1-28(24,25)27-21-10-15-23(16-11-21)18-19-6-8-20(9-7-19)26-17-5-14-22-12-3-2-4-13-22/h6-9,21H,2-5,10-18H2,1H3
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| InChIKey |
AWJRAHLZDXQGMM-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