General Information of the Compound
| Compound ID |
CP0426252
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| Compound Name |
N-[(4-tert-butylphenyl)methyl]-2-[4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C21H28N2O3S
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| Molecular Weight |
388.533
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| Canonical SMILES |
CC(C(=O)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1
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| InChI |
InChI=1S/C21H28N2O3S/c1-15(17-8-12-19(13-9-17)23-27(5,25)26)20(24)22-14-16-6-10-18(11-7-16)21(2,3)4/h6-13,15,23H,14H2,1-5H3,(H,22,24)
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| InChIKey |
RWCRUAMCCAXWCZ-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