General Information of the Compound
| Compound ID |
CP0569778
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| Compound Name |
2-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]methylsulfanyl]-1-methylimidazole
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| Structure |
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| Formula |
C17H21N3O3S2
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| Molecular Weight |
379.507
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| Canonical SMILES |
Cn1ccnc1SCC1CCN(C1)S(=O)(=O)c1ccc2OCCc2c1
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| InChI |
InChI=1S/C17H21N3O3S2/c1-19-8-6-18-17(19)24-12-13-4-7-20(11-13)25(21,22)15-2-3-16-14(10-15)5-9-23-16/h2-3,6,8,10,13H,4-5,7,9,11-12H2,1H3
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| InChIKey |
LQKOHUPOZXSRAB-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