General Information of the Compound
| Compound ID |
CP0427141
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| Compound Name |
1-(4-methanesulfonylphenyl)-3-[(3,4-methylenedioxy)-phenoxymethyl]-5-phenyl-1H-pyrazole
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| Structure |
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| Formula |
C24H20N2O5S
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| Molecular Weight |
448.5
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-n1nc(COc2ccc3OCOc3c2)cc1-c1ccccc1
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| InChI |
InChI=1S/C24H20N2O5S/c1-32(27,28)21-10-7-19(8-11-21)26-22(17-5-3-2-4-6-17)13-18(25-26)15-29-20-9-12-23-24(14-20)31-16-30-23/h2-14H,15-16H2,1H3
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| InChIKey |
BVHCPVREOGFUNX-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
Protein ID: PT00940, Prostaglandin G/H synthase 1
Protein ID: PT00901, Prostaglandin G/H synthase 2