General Information of the Compound
| Compound ID |
CP0235642
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| Compound Name |
N-benzyl-4-(3-chloro-2-cyanophenoxy)-N-methylbenzenesulfonamide
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| Structure |
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| Formula |
C21H17ClN2O3S
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| Molecular Weight |
412.898
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| Canonical SMILES |
CN(Cc1ccccc1)S(=O)(=O)c1ccc(Oc2cccc(Cl)c2C#N)cc1
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| InChI |
InChI=1S/C21H17ClN2O3S/c1-24(15-16-6-3-2-4-7-16)28(25,26)18-12-10-17(11-13-18)27-21-9-5-8-20(22)19(21)14-23/h2-13H,15H2,1H3
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| InChIKey |
FZDNUAJUNQNBJK-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