General Information of the Compound
| Compound ID |
CP0505869
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| Compound Name |
3-(4-tert-butylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
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| Structure |
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| Formula |
C21H28N2O4S
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| Molecular Weight |
404.532
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| Canonical SMILES |
CC(C)(C)c1ccc(OCCC(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1
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| InChI |
InChI=1S/C21H28N2O4S/c1-21(2,3)17-6-8-18(9-7-17)27-15-13-20(24)23-14-12-16-4-10-19(11-5-16)28(22,25)26/h4-11H,12-15H2,1-3H3,(H,23,24)(H2,22,25,26)
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| InChIKey |
QEMAWQSHPMNNKL-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