General Information of the Compound
| Compound ID |
CP0416913
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| Compound Name |
N-[(4-tert-butylphenyl)methyl]-2-[2-chloro-4-(methanesulfonamido)phenyl]propanamide
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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(=O)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1Cl
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| InChI |
InChI=1S/C21H27ClN2O3S/c1-14(18-11-10-17(12-19(18)22)24-28(5,26)27)20(25)23-13-15-6-8-16(9-7-15)21(2,3)4/h6-12,14,24H,13H2,1-5H3,(H,23,25)
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| InChIKey |
ZKYYQUBPGDYWFP-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