General Information of the Compound
| Compound ID |
CP0578774
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| Compound Name |
2-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]methylsulfanyl]-4-methyl-1,3-thiazole
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| Structure |
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| Formula |
C18H22N2O4S3
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| Molecular Weight |
426.585
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| Canonical SMILES |
Cc1csc(SCC2CCN(CC2)S(=O)(=O)c2ccc3OCCOc3c2)n1
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| InChI |
InChI=1S/C18H22N2O4S3/c1-13-11-25-18(19-13)26-12-14-4-6-20(7-5-14)27(21,22)15-2-3-16-17(10-15)24-9-8-23-16/h2-3,10-11,14H,4-9,12H2,1H3
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| InChIKey |
QVBDSVORMZBHSM-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