General Information of the Compound
| Compound ID |
CP0388889
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| Compound Name |
4-chloro-N-[1-(4,5-diethyl-1,2,4-triazol-3-yl)-2-phenylethyl]benzenesulfonamide
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| Structure |
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| Formula |
C20H23ClN4O2S
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| Molecular Weight |
418.95
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| Canonical SMILES |
CCc1nnc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n1CC
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| InChI |
InChI=1S/C20H23ClN4O2S/c1-3-19-22-23-20(25(19)4-2)18(14-15-8-6-5-7-9-15)24-28(26,27)17-12-10-16(21)11-13-17/h5-13,18,24H,3-4,14H2,1-2H3
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| InChIKey |
TXTVBHGTUJEYOU-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