General Information of the Compound
| Compound ID |
CP0287765
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| Compound Name |
1'-Ethanesulfonyl-4-{1-[4-(4-methoxy-benzenesulfonyl)-phenyl]-vinyl}-[1,4']bipiperidinyl
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| Structure |
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| Formula |
C27H36N2O5S2
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| Molecular Weight |
532.728
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| Canonical SMILES |
CCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
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| InChI |
InChI=1S/C27H36N2O5S2/c1-4-35(30,31)29-19-15-24(16-20-29)28-17-13-23(14-18-28)21(2)22-5-9-26(10-6-22)36(32,33)27-11-7-25(34-3)8-12-27/h5-12,23-24H,2,4,13-20H2,1,3H3
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| InChIKey |
KDMFWQZABCPNHX-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