General Information of the Compound
| Compound ID |
CP0492218
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| Compound Name |
4-{2-[4-(Benzo[1,3]dioxole-5-sulfinyl)-phenyl]-tetrahydro-furan-2-yl}-1'-(propane-1-sulfonyl)-[1,4']bipiperidinyl
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| Structure |
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| Formula |
C30H40N2O6S2
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| Molecular Weight |
588.792
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| Canonical SMILES |
CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C1(CCCO1)c1ccc(cc1)S(=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C30H40N2O6S2/c1-2-20-40(34,35)32-17-12-25(13-18-32)31-15-10-24(11-16-31)30(14-3-19-38-30)23-4-6-26(7-5-23)39(33)27-8-9-28-29(21-27)37-22-36-28/h4-9,21,24-25H,2-3,10-20,22H2,1H3
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| InChIKey |
PAYVCNUFKULSLZ-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