General Information of the Compound
| Compound ID |
CP0524978
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| Compound Name |
2-[4-[[3-(benzenesulfonyl)pyridin-4-yl]methyl]-5-methyl-3-phenylpyrazol-1-yl]acetic acid
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| Structure |
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| Formula |
C24H21N3O4S
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| Molecular Weight |
447.516
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| Canonical SMILES |
Cc1c(Cc2ccncc2S(=O)(=O)c2ccccc2)c(nn1CC(O)=O)-c1ccccc1
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| InChI |
InChI=1S/C24H21N3O4S/c1-17-21(24(18-8-4-2-5-9-18)26-27(17)16-23(28)29)14-19-12-13-25-15-22(19)32(30,31)20-10-6-3-7-11-20/h2-13,15H,14,16H2,1H3,(H,28,29)
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| InChIKey |
LVQCMZUPXCVDSI-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