General Information of the Compound
| Compound ID |
CP0574025
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| Compound Name |
US9303045, 99
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| Structure |
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| Formula |
C18H21FN2O5S
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| Molecular Weight |
396.44
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| Canonical SMILES |
CN1C2COCC1CC(C2)OC(=O)c1cn(c2ccc(F)cc12)S(C)(=O)=O
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| InChI |
InChI=1S/C18H21FN2O5S/c1-20-12-6-14(7-13(20)10-25-9-12)26-18(22)16-8-21(27(2,23)24)17-4-3-11(19)5-15(16)17/h3-5,8,12-14H,6-7,9-10H2,1-2H3
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| InChIKey |
VSXCBNQWFRDHOI-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