General Information of the Compound
| Compound ID |
CP0392795
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| Compound Name |
US9162979, 32
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| Structure |
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| Formula |
C24H24FN3O8S
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| Molecular Weight |
533.534
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| Canonical SMILES |
Cc1c(CC(=O)NC(CCON(=O)=O)C(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1
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| InChI |
InChI=1S/C24H24FN3O8S/c1-15-17(14-23(29)26-21(24(30)31)11-12-36-28(32)33)13-22(27(15)19-7-5-18(25)6-8-19)16-3-9-20(10-4-16)37(2,34)35/h3-10,13,21H,11-12,14H2,1-2H3,(H,26,29)(H,30,31)
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| InChIKey |
GDEMRZBZXNJGFE-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