General Information of the Compound
| Compound ID |
CP0400375
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| Compound Name |
US9434711, 188
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| Structure |
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| Formula |
C21H13BrF4N2O2S2
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| Molecular Weight |
545.377
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| Canonical SMILES |
Fc1ccc(CN(c2sc3ccccc3c2Br)S(=O)(=O)c2cccnc2)cc1C(F)(F)F
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| InChI |
InChI=1S/C21H13BrF4N2O2S2/c22-19-15-5-1-2-6-18(15)31-20(19)28(32(29,30)14-4-3-9-27-11-14)12-13-7-8-17(23)16(10-13)21(24,25)26/h1-11H,12H2
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| InChIKey |
HLIVXICTRVANBI-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