General Information of the Compound
| Compound ID |
CP0518293
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| Compound Name |
4-[4-(Benzo[1,3]dioxole-5-sulfonyl)-benzoyl]-[1,4']bipiperidinyl-1'-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C27H32N2O7S
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| Molecular Weight |
528.627
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| Canonical SMILES |
CCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=O)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C27H32N2O7S/c1-2-34-27(31)29-15-11-21(12-16-29)28-13-9-20(10-14-28)26(30)19-3-5-22(6-4-19)37(32,33)23-7-8-24-25(17-23)36-18-35-24/h3-8,17,20-21H,2,9-16,18H2,1H3
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| InChIKey |
OJESMLMMYGXRIN-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