General Information of the Compound
| Compound ID |
CP0260958
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| Compound Name |
1-{4-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenoxy]-[1,4']bipiperidinyl-1'-yl}-2-phenoxy-ethanone
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| Structure |
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| Formula |
C31H34N2O7S
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| Molecular Weight |
578.687
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| Canonical SMILES |
O=C(COc1ccccc1)N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C31H34N2O7S/c34-31(21-37-24-4-2-1-3-5-24)33-16-12-23(13-17-33)32-18-14-26(15-19-32)40-25-6-8-27(9-7-25)41(35,36)28-10-11-29-30(20-28)39-22-38-29/h1-11,20,23,26H,12-19,21-22H2
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| InChIKey |
OVBNJSSOZPDVDB-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