General Information of the Compound
| Compound ID |
CP0524977
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| Compound Name |
2-[4-[[2-[3-(dimethylcarbamoyl)phenyl]sulfonylphenyl]methyl]-5-methyl-3-phenylpyrazol-1-yl]acetic acid
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| Structure |
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| Formula |
C28H27N3O5S
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| Molecular Weight |
517.607
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| Canonical SMILES |
CN(C)C(=O)c1cccc(c1)S(=O)(=O)c1ccccc1Cc1c(C)n(CC(O)=O)nc1-c1ccccc1
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| InChI |
InChI=1S/C28H27N3O5S/c1-19-24(27(20-10-5-4-6-11-20)29-31(19)18-26(32)33)17-21-12-7-8-15-25(21)37(35,36)23-14-9-13-22(16-23)28(34)30(2)3/h4-16H,17-18H2,1-3H3,(H,32,33)
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| InChIKey |
GEJPKPYICIQKMI-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