General Information of the Compound
| Compound ID |
CP0420405
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| Compound Name |
2-[1-[[2-(benzenesulfonyl)phenyl]methyl]-5-oxo-3-phenyl-1,2,4-triazol-4-yl]acetic acid
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| Structure |
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| Formula |
C23H19N3O5S
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| Molecular Weight |
449.488
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| Canonical SMILES |
OC(=O)Cn1c(nn(Cc2ccccc2S(=O)(=O)c2ccccc2)c1=O)-c1ccccc1
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| InChI |
InChI=1S/C23H19N3O5S/c27-21(28)16-25-22(17-9-3-1-4-10-17)24-26(23(25)29)15-18-11-7-8-14-20(18)32(30,31)19-12-5-2-6-13-19/h1-14H,15-16H2,(H,27,28)
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| InChIKey |
WBZCVGBGVNTTNH-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