General Information of the Compound
| Compound ID |
CP0546180
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| Compound Name |
4-tert-butyl-N-[[2-chloro-4-(propan-2-ylsulfonylamino)phenyl]methyl]benzamide
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| Structure |
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| Formula |
C21H27ClN2O3S
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| Molecular Weight |
422.978
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| Canonical SMILES |
CC(C)S(=O)(=O)Nc1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)c(Cl)c1
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| InChI |
InChI=1S/C21H27ClN2O3S/c1-14(2)28(26,27)24-18-11-8-16(19(22)12-18)13-23-20(25)15-6-9-17(10-7-15)21(3,4)5/h6-12,14,24H,13H2,1-5H3,(H,23,25)
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| InChIKey |
DEDSYKQSMZFCKD-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