General Information of the Compound
| Compound ID |
CP0551938
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| Compound Name |
2-[[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)cyclohexyl]methylsulfanyl]-1-methylimidazole
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| Structure |
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| Formula |
C19H24N2O3S2
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| Molecular Weight |
392.546
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| Canonical SMILES |
Cn1ccnc1SCC1CCC(CC1)S(=O)(=O)c1ccc2OCCc2c1
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| InChI |
InChI=1S/C19H24N2O3S2/c1-21-10-9-20-19(21)25-13-14-2-4-16(5-3-14)26(22,23)17-6-7-18-15(12-17)8-11-24-18/h6-7,9-10,12,14,16H,2-5,8,11,13H2,1H3
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| InChIKey |
WQTXMYKTSATUOJ-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