General Information of the Compound
| Compound ID |
CP0576596
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| Compound Name |
2-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-yl]ethyl]-1,3-thiazole
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| Structure |
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| Formula |
C18H22N2O3S2
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| Molecular Weight |
378.519
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| Canonical SMILES |
O=S(=O)(N1CCC(CCc2nccs2)CC1)c1ccc2OCCc2c1
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| InChI |
InChI=1S/C18H22N2O3S2/c21-25(22,16-2-3-17-15(13-16)7-11-23-17)20-9-5-14(6-10-20)1-4-18-19-8-12-24-18/h2-3,8,12-14H,1,4-7,9-11H2
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| InChIKey |
KELHHTCITLAVHH-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