General Information of the Compound
| Compound ID |
CP0564114
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| Compound Name |
US9434711, 587
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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 |
Nc1ccc(cc1)S(=O)(=O)N(CCC(F)(F)F)c1sc2ccccc2c1Br
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| InChI |
InChI=1S/C17H14BrF3N2O2S2/c18-15-13-3-1-2-4-14(13)26-16(15)23(10-9-17(19,20)21)27(24,25)12-7-5-11(22)6-8-12/h1-8H,9-10,22H2
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| InChIKey |
IUJKOAVPZYOQNI-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