General Information of the Compound
| Compound ID |
CP0408340
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| Compound Name |
3,4-dimethoxy-N-[[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide
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| Structure |
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| Formula |
C23H32N2O6S
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| Molecular Weight |
464.584
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| Canonical SMILES |
COc1ccc(cc1OC)S(=O)(=O)NCC1CCN(CCOc2ccccc2OC)CC1
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| InChI |
InChI=1S/C23H32N2O6S/c1-28-20-6-4-5-7-22(20)31-15-14-25-12-10-18(11-13-25)17-24-32(26,27)19-8-9-21(29-2)23(16-19)30-3/h4-9,16,18,24H,10-15,17H2,1-3H3
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| InChIKey |
KPKLPDVMTSLTHM-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