General Information of the Compound
| Compound ID |
CP0522770
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| Compound Name |
3-chloro-2-fluoro-N-[[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide
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| Structure |
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| Formula |
C21H26ClFN2O4S
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| Molecular Weight |
456.967
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| Canonical SMILES |
COc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2F)CC1
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| InChI |
InChI=1S/C21H26ClFN2O4S/c1-28-18-6-2-3-7-19(18)29-14-13-25-11-9-16(10-12-25)15-24-30(26,27)20-8-4-5-17(22)21(20)23/h2-8,16,24H,9-15H2,1H3
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| InChIKey |
ZTNYEEHAUAMDPR-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