General Information of the Compound
| Compound ID |
CP0248944
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| Compound Name |
2-[1-[[2-(benzenesulfonyl)phenyl]methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-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(CC(O)=O)c(nn1Cc1ccccc1S(=O)(=O)c1ccccc1)-c1ccncc1
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| InChI |
InChI=1S/C24H21N3O4S/c1-17-21(15-23(28)29)24(18-11-13-25-14-12-18)26-27(17)16-19-7-5-6-10-22(19)32(30,31)20-8-3-2-4-9-20/h2-14H,15-16H2,1H3,(H,28,29)
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| InChIKey |
XRNSYBJMDSHXLW-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