General Information of the Compound
| Compound ID |
CP0881298
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| Compound Name |
4-((1-((2-Chloro-4-cyanophenyl)sulfonyl)-4-hydroxypiperidin-4-yl)methoxy)-2-fuorobenzonitrile
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| Structure |
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| Formula |
C20H17ClFN3O4S
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| Molecular Weight |
449.891
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| Canonical SMILES |
N#Cc1ccc(S(=O)(=O)N2CCC(O)(COc3ccc(C#N)c(F)c3)CC2)c(Cl)c1
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| InChI |
InChI=1S/C20H17ClFN3O4S/c21-17-9-14(11-23)1-4-19(17)30(27,28)25-7-5-20(26,6-8-25)13-29-16-3-2-15(12-24)18(22)10-16/h1-4,9-10,26H,5-8,13H2
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| InChIKey |
ITHLJNNUSWDMJU-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