General Information of the Compound
| Compound ID |
CP0465164
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| Compound Name |
N-[(4-chlorophenyl)methyl]-4-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
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| Structure |
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| Formula |
C26H19ClN2O3S
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| Molecular Weight |
474.969
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| Canonical SMILES |
Clc1ccc(CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccc(cc2)C#N)cc1
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| InChI |
InChI=1S/C26H19ClN2O3S/c27-22-10-6-21(7-11-22)19-29(33(30,31)26-16-8-20(18-28)9-17-26)23-12-14-25(15-13-23)32-24-4-2-1-3-5-24/h1-17H,19H2
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| InChIKey |
UURFBBIGVVUBPS-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