General Information of the Compound
| Compound ID |
CP0573157
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| Compound Name |
[4-(1,3-benzodioxol-5-ylsulfinyl)phenyl]-[1-(1-propylsulfonylpiperidin-4-yl)piperidin-4-yl]methanone
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| Structure |
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| Formula |
C27H34N2O6S2
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| Molecular Weight |
546.711
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| Canonical SMILES |
CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=O)c1ccc(cc1)S(=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C27H34N2O6S2/c1-2-17-37(32,33)29-15-11-22(12-16-29)28-13-9-21(10-14-28)27(30)20-3-5-23(6-4-20)36(31)24-7-8-25-26(18-24)35-19-34-25/h3-8,18,21-22H,2,9-17,19H2,1H3
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| InChIKey |
NXYPHFVZCIXLQW-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