General Information of the Compound
| Compound ID |
CP0519157
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| Compound Name |
US8889668, I70
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| Structure |
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| Formula |
C21H12F6N2O2S
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| Molecular Weight |
470.394
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| Canonical SMILES |
Cc1cscc1-c1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccccc1OC(F)(F)F
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| InChI |
InChI=1S/C21H12F6N2O2S/c1-11-9-32-10-15(11)13-7-6-12(8-16(13)20(22,23)24)19-28-18(29-31-19)14-4-2-3-5-17(14)30-21(25,26)27/h2-10H,1H3
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| InChIKey |
UYKVDPMHLWLVQD-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