General Information of the Compound
| Compound ID |
CP0183455
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| Compound Name |
4-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenoxy]-1'-(naphthalene-1-sulfonyl)-[1,4']bipiperidinyl
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| Structure |
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| Formula |
C33H34N2O7S2
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| Molecular Weight |
634.776
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| Canonical SMILES |
O=S(=O)(N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1)c1cccc2ccccc12
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| InChI |
InChI=1S/C33H34N2O7S2/c36-43(37,29-12-13-31-32(22-29)41-23-40-31)28-10-8-26(9-11-28)42-27-16-18-34(19-17-27)25-14-20-35(21-15-25)44(38,39)33-7-3-5-24-4-1-2-6-30(24)33/h1-13,22,25,27H,14-21,23H2
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| InChIKey |
OGBJUHPLNYLYRL-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