General Information of the Compound
| Compound ID |
CP0470554
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| Compound Name |
1-Methanesulfonyl-4-(3-methylene-2-phenyl-cyclobut-1-enyl)-benzene
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| Structure |
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| Formula |
C18H16O2S
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| Molecular Weight |
296.391
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)C1=C(C(=C)C1)c1ccccc1
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| InChI |
InChI=1S/C18H16O2S/c1-13-12-17(18(13)15-6-4-3-5-7-15)14-8-10-16(11-9-14)21(2,19)20/h3-11H,1,12H2,2H3
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| InChIKey |
KGOPIJQFLBPLCD-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