General Information of the Compound
| Compound ID |
CP0529418
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| Compound Name |
US9434711, 129
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| Structure |
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| Formula |
C20H15F2NO2S3
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| Molecular Weight |
435.542
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(F)c(F)c1)S(=O)(=O)c1cccs1
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| InChI |
InChI=1S/C20H15F2NO2S3/c1-13-15-5-2-3-6-18(15)27-20(13)23(28(24,25)19-7-4-10-26-19)12-14-8-9-16(21)17(22)11-14/h2-11H,12H2,1H3
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| InChIKey |
KPLXQAMOZKQQSX-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