General Information of the Compound
| Compound ID |
CP0395145
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| Compound Name |
3-(4-Methanesulfonyl-phenyl)-2-phenyl-spiro[3.4]oct-2-en-1-one
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| Structure |
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| Formula |
C21H20O3S
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| Molecular Weight |
352.455
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)C11CCCC1)c1ccccc1
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| InChI |
InChI=1S/C21H20O3S/c1-25(23,24)17-11-9-16(10-12-17)19-18(15-7-3-2-4-8-15)20(22)21(19)13-5-6-14-21/h2-4,7-12H,5-6,13-14H2,1H3
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| InChIKey |
VWIZNMROODLCAH-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