General Information of the Compound
| Compound ID |
CP0566693
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| Compound Name |
N-[1-(5-butyl-4-methyl-1,2,4-triazol-3-yl)-2-phenylethyl]-4-chlorobenzenesulfonamide
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| Structure |
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| Formula |
C21H25ClN4O2S
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| Molecular Weight |
432.977
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| Canonical SMILES |
CCCCc1nnc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n1C
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| InChI |
InChI=1S/C21H25ClN4O2S/c1-3-4-10-20-23-24-21(26(20)2)19(15-16-8-6-5-7-9-16)25-29(27,28)18-13-11-17(22)12-14-18/h5-9,11-14,19,25H,3-4,10,15H2,1-2H3
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| InChIKey |
POIGRRKQECEWDO-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