General Information of the Compound
| Compound ID |
CP0538348
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| Compound Name |
2-[4-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]-5-methyl-3-phenylpyrazol-1-yl]acetic acid
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| Structure |
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| Formula |
C26H24N2O3S
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| Molecular Weight |
444.556
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| Canonical SMILES |
COc1cccc(Sc2ccccc2Cc2c(C)n(CC(O)=O)nc2-c2ccccc2)c1
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| InChI |
InChI=1S/C26H24N2O3S/c1-18-23(26(19-9-4-3-5-10-19)27-28(18)17-25(29)30)15-20-11-6-7-14-24(20)32-22-13-8-12-21(16-22)31-2/h3-14,16H,15,17H2,1-2H3,(H,29,30)
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| InChIKey |
QDXPHZXHBVAAAY-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