General Information of the Compound
| Compound ID |
CP0385006
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| Compound Name |
2-[1-[[2-(benzenesulfonyl)phenyl]methyl]-5-chloro-6-oxopyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C20H16ClNO5S
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| Molecular Weight |
417.87
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| Canonical SMILES |
OC(=O)Cc1cc(Cl)c(=O)n(Cc2ccccc2S(=O)(=O)c2ccccc2)c1
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| InChI |
InChI=1S/C20H16ClNO5S/c21-17-10-14(11-19(23)24)12-22(20(17)25)13-15-6-4-5-9-18(15)28(26,27)16-7-2-1-3-8-16/h1-10,12H,11,13H2,(H,23,24)
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| InChIKey |
FHBRXEDHBXYISA-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