General Information of the Compound
| Compound ID |
CP0427142
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| Compound Name |
1-(4-methanesulfonylphenyl)-3-[3-(4-morpholino)phenoxymethyl]-5-phenyl-1H-pyrazole
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| Structure |
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| Formula |
C27H27N3O4S
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| Molecular Weight |
489.597
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-n1nc(COc2cccc(c2)N2CCOCC2)cc1-c1ccccc1
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| InChI |
InChI=1S/C27H27N3O4S/c1-35(31,32)26-12-10-23(11-13-26)30-27(21-6-3-2-4-7-21)18-22(28-30)20-34-25-9-5-8-24(19-25)29-14-16-33-17-15-29/h2-13,18-19H,14-17,20H2,1H3
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| InChIKey |
VVGLPZDNIYZYJM-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