General Information of the Compound
| Compound ID |
CP0535070
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| Compound Name |
4-{2-[4-(Benzo[1,3]dioxole-5-sulfinyl)-phenyl]-[1,3]dithiolan-2-yl}-1'-(propane-1-sulfonyl)-[1,4']bipiperidinyl
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| Structure |
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| Formula |
C29H38N2O5S4
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| Molecular Weight |
622.9
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| Canonical SMILES |
CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C1(SCCS1)c1ccc(cc1)S(=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C29H38N2O5S4/c1-2-19-40(33,34)31-15-11-24(12-16-31)30-13-9-23(10-14-30)29(37-17-18-38-29)22-3-5-25(6-4-22)39(32)26-7-8-27-28(20-26)36-21-35-27/h3-8,20,23-24H,2,9-19,21H2,1H3
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| InChIKey |
UJGYNDPRZZIZJY-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