General Information of the Compound
| Compound ID |
CP0563126
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| Compound Name |
US9434711, 78
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| Structure |
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| Formula |
C20H13F4NO2S3
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| Molecular Weight |
471.522
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| Canonical SMILES |
Fc1ccc(CN(c2cc3ccccc3s2)S(=O)(=O)c2ccsc2)cc1C(F)(F)F
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| InChI |
InChI=1S/C20H13F4NO2S3/c21-17-6-5-13(9-16(17)20(22,23)24)11-25(30(26,27)15-7-8-28-12-15)19-10-14-3-1-2-4-18(14)29-19/h1-10,12H,11H2
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| InChIKey |
PRXVILQFXMRETQ-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