General Information of the Compound
| Compound ID |
CP0183976
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| Compound Name |
1-{4-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenoxy]-[1,4']bipiperidinyl-1'-yl}-2-ethoxy-ethanone
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| Structure |
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| Formula |
C27H34N2O7S
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| Molecular Weight |
530.643
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| Canonical SMILES |
CCOCC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C27H34N2O7S/c1-2-33-18-27(30)29-13-9-20(10-14-29)28-15-11-22(12-16-28)36-21-3-5-23(6-4-21)37(31,32)24-7-8-25-26(17-24)35-19-34-25/h3-8,17,20,22H,2,9-16,18-19H2,1H3
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| InChIKey |
RALSSEKCMJNMAN-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