General Information of the Compound
| Compound ID |
CP0504806
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| Compound Name |
4-[4-(4-Methoxy-benzenesulfonyl)-benzoyl]-[1,4']bipiperidinyl-1'-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C27H34N2O6S
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| Molecular Weight |
514.644
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| Canonical SMILES |
CCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
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| InChI |
InChI=1S/C27H34N2O6S/c1-3-35-27(31)29-18-14-22(15-19-29)28-16-12-21(13-17-28)26(30)20-4-8-24(9-5-20)36(32,33)25-10-6-23(34-2)7-11-25/h4-11,21-22H,3,12-19H2,1-2H3
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| InChIKey |
YWVQHLDAZWKISG-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