General Information of the Compound
| Compound ID |
CP0469243
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| Compound Name |
3-chloro-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)amino]-2-propan-2-ylsulfonylphenol
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| Structure |
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| Formula |
C17H17ClN4O3S
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| Molecular Weight |
392.868
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| Canonical SMILES |
CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nnc([nH]2)-c2ccccc2)c1O
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| InChI |
InChI=1S/C17H17ClN4O3S/c1-10(2)26(24,25)15-12(18)8-9-13(14(15)23)19-17-20-16(21-22-17)11-6-4-3-5-7-11/h3-10,23H,1-2H3,(H2,19,20,21,22)
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| InChIKey |
RPIZWOPUYCDULD-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