General Information of the Compound
| Compound ID |
CP0444953
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| Compound Name |
US9434711, 407
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| Structure |
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| Formula |
C17H14BrF3N2O2S2
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| Molecular Weight |
479.343
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| Canonical SMILES |
FC(F)(F)CCCN(c1sc2ccccc2c1Br)S(=O)(=O)c1cccnc1
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| InChI |
InChI=1S/C17H14BrF3N2O2S2/c18-15-13-6-1-2-7-14(13)26-16(15)23(10-4-8-17(19,20)21)27(24,25)12-5-3-9-22-11-12/h1-3,5-7,9,11H,4,8,10H2
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| InChIKey |
FTCIJXOUCRTHCH-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