General Information of the Compound
| Compound ID |
CP0531836
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| Compound Name |
2,5-dimethoxy-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide
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| Structure |
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| Formula |
C25H36N2O5S
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| Molecular Weight |
476.639
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| Canonical SMILES |
COc1ccc(OC)c(c1)S(=O)(=O)NCC1CCN(CCOc2ccccc2C(C)C)CC1
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| InChI |
InChI=1S/C25H36N2O5S/c1-19(2)22-7-5-6-8-23(22)32-16-15-27-13-11-20(12-14-27)18-26-33(28,29)25-17-21(30-3)9-10-24(25)31-4/h5-10,17,19-20,26H,11-16,18H2,1-4H3
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| InChIKey |
XILUNHGLVJVDGW-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