General Information of the Compound
| Compound ID |
CP0477322
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| Compound Name |
2-[3,5-dimethyl-1-[(4-methylsulfonylphenyl)methyl]pyrazol-4-yl]acetic acid
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| Structure |
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| Formula |
C15H18N2O4S
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| Molecular Weight |
322.386
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| Canonical SMILES |
Cc1nn(Cc2ccc(cc2)S(C)(=O)=O)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C15H18N2O4S/c1-10-14(8-15(18)19)11(2)17(16-10)9-12-4-6-13(7-5-12)22(3,20)21/h4-7H,8-9H2,1-3H3,(H,18,19)
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| InChIKey |
DOOFBXKBHSGNPY-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