General Information of the Compound
| Compound ID |
CP0564452
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| Compound Name |
US9434711, 802
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| Structure |
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| Formula |
C21H22F3NO4S2
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| Molecular Weight |
473.538
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| Canonical SMILES |
CCS(=O)(=O)N(Cc1cc(F)c(F)c(OC)c1F)c1sc2ccccc2c1C(C)(C)O
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| InChI |
InChI=1S/C21H22F3NO4S2/c1-5-31(27,28)25(11-12-10-14(22)18(24)19(29-4)17(12)23)20-16(21(2,3)26)13-8-6-7-9-15(13)30-20/h6-10,26H,5,11H2,1-4H3
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| InChIKey |
YBTUIRJLLPEOEP-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