General Information of the Compound
| Compound ID |
CP0539062
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| Compound Name |
US9000044, 54
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| Structure |
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| Formula |
C20H17FO4S
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| Molecular Weight |
372.417
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| Canonical SMILES |
Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C20H17FO4S/c1-12-15(10-19(22)23)9-14-3-6-16(21)11-18(14)20(12)13-4-7-17(8-5-13)26(2,24)25/h3-9,11H,10H2,1-2H3,(H,22,23)
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| InChIKey |
SEFRLOLAGCRLDS-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