General Information of the Compound
| Compound ID |
CP0568304
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| Compound Name |
1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine
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| Structure |
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| Formula |
C18H23N3O4S2
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| Molecular Weight |
409.533
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| Canonical SMILES |
Cn1ccnc1SCC1CCN(CC1)S(=O)(=O)c1cccc2OCCOc12
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| InChI |
InChI=1S/C18H23N3O4S2/c1-20-10-7-19-18(20)26-13-14-5-8-21(9-6-14)27(22,23)16-4-2-3-15-17(16)25-12-11-24-15/h2-4,7,10,14H,5-6,8-9,11-13H2,1H3
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| InChIKey |
KGUQSXKYHXBFEG-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