General Information of the Compound
| Compound ID |
CP0184076
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| Compound Name |
[4-[4-[4-(1,3-benzodioxol-5-ylsulfonyl)phenoxy]piperidin-1-yl]piperidin-1-yl]-naphthalen-1-ylmethanone
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| Structure |
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| Formula |
C34H34N2O6S
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| Molecular Weight |
598.721
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| Canonical SMILES |
O=C(N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1)c1cccc2ccccc12
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| InChI |
InChI=1S/C34H34N2O6S/c37-34(31-7-3-5-24-4-1-2-6-30(24)31)36-18-14-25(15-19-36)35-20-16-27(17-21-35)42-26-8-10-28(11-9-26)43(38,39)29-12-13-32-33(22-29)41-23-40-32/h1-13,22,25,27H,14-21,23H2
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| InChIKey |
ZQKNWAOHEDTKOE-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