General Information of the Compound
| Compound ID |
CP0396696
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| Compound Name |
4-cyano-N-[(4-methylphenyl)methyl]-N-(4-phenoxyphenyl)benzenesulfonamide
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| Structure |
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| Formula |
C27H22N2O3S
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| Molecular Weight |
454.551
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| Canonical SMILES |
Cc1ccc(CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccc(cc2)C#N)cc1
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| InChI |
InChI=1S/C27H22N2O3S/c1-21-7-9-23(10-8-21)20-29(33(30,31)27-17-11-22(19-28)12-18-27)24-13-15-26(16-14-24)32-25-5-3-2-4-6-25/h2-18H,20H2,1H3
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| InChIKey |
LFXVGZLIBYIDEH-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