General Information of the Compound
| Compound ID |
CP0432752
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| Compound Name |
4-[[1-(2,4-dichlorophenyl)sulfonyl-4-hydroxypiperidin-4-yl]methoxy]-2-fluorobenzonitrile
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| Structure |
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| Formula |
C19H17Cl2FN2O4S
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| Molecular Weight |
459.326
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| Canonical SMILES |
OC1(COc2ccc(C#N)c(F)c2)CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C19H17Cl2FN2O4S/c20-14-2-4-18(16(21)9-14)29(26,27)24-7-5-19(25,6-8-24)12-28-15-3-1-13(11-23)17(22)10-15/h1-4,9-10,25H,5-8,12H2
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| InChIKey |
RHZOBQUFIPYJNS-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