General Information of the Compound
| Compound ID |
CP0467031
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| Compound Name |
2-[1-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-methyl-3-phenylpyrazol-4-yl]acetic acid
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| Structure |
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| Formula |
C21H23N3O4S
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| Molecular Weight |
413.499
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| Canonical SMILES |
CN(C)S(=O)(=O)c1ccccc1Cn1nc(c(CC(O)=O)c1C)-c1ccccc1
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| InChI |
InChI=1S/C21H23N3O4S/c1-15-18(13-20(25)26)21(16-9-5-4-6-10-16)22-24(15)14-17-11-7-8-12-19(17)29(27,28)23(2)3/h4-12H,13-14H2,1-3H3,(H,25,26)
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| InChIKey |
GYRAVLWEBOFTPP-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