General Information of the Compound
| Compound ID |
CP0396685
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| Compound Name |
2-[5-methyl-3-phenyl-1-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrazol-4-yl]acetic acid
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| Structure |
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| Formula |
C24H27N3O4S
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| Molecular Weight |
453.564
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| Canonical SMILES |
Cc1c(CC(O)=O)c(nn1Cc1ccccc1S(=O)(=O)N1CCCCC1)-c1ccccc1
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| InChI |
InChI=1S/C24H27N3O4S/c1-18-21(16-23(28)29)24(19-10-4-2-5-11-19)25-27(18)17-20-12-6-7-13-22(20)32(30,31)26-14-8-3-9-15-26/h2,4-7,10-13H,3,8-9,14-17H2,1H3,(H,28,29)
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| InChIKey |
ZNRJFVJLPICYRN-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