General Information of the Compound
| Compound ID |
CP0345843
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| Compound Name |
4-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenoxy]-1'-(propane-1-sulfonyl)-[1,4']bipiperidinyl
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| Structure |
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| Formula |
C26H34N2O7S2
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| Molecular Weight |
550.699
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| Canonical SMILES |
CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C26H34N2O7S2/c1-2-17-36(29,30)28-15-9-20(10-16-28)27-13-11-22(12-14-27)35-21-3-5-23(6-4-21)37(31,32)24-7-8-25-26(18-24)34-19-33-25/h3-8,18,20,22H,2,9-17,19H2,1H3
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| InChIKey |
DXOIECNJJMTINR-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