General Information of the Compound
| Compound ID |
CP0395761
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| Compound Name |
US9162979, 8
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| Structure |
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| Formula |
C23H23FN2O7S
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| Molecular Weight |
490.509
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| Canonical SMILES |
Cc1c(CC(=O)OCCCON(=O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1
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| InChI |
InChI=1S/C23H23FN2O7S/c1-16-18(14-23(27)32-11-4-12-33-26(28)29)13-22(25(16)20-6-3-5-19(24)15-20)17-7-9-21(10-8-17)34(2,30)31/h3,5-10,13,15H,4,11-12,14H2,1-2H3
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| InChIKey |
ZRTXBRQDUJYTDR-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: PT01898, Prostaglandin G/H synthase 1
Protein ID: PT01062, Prostaglandin G/H synthase 2