General Information of the Compound
| Compound ID |
CP0377648
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| Compound Name |
2-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-4,4-dimethyl-cyclobut-2-enone
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| Structure |
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| Formula |
C19H17FO3S
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| Molecular Weight |
344.407
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| Canonical SMILES |
CC1(C)C(=O)C(=C1c1ccc(cc1)S(C)(=O)=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C19H17FO3S/c1-19(2)17(13-6-10-15(11-7-13)24(3,22)23)16(18(19)21)12-4-8-14(20)9-5-12/h4-11H,1-3H3
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| InChIKey |
BIKVSCVPZGXPRO-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