General Information of the Compound
| Compound ID |
CP0400382
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| Compound Name |
US9434711, 269
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| Structure |
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| Formula |
C13H14BrF3N2O2S2
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| Molecular Weight |
431.299
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| Canonical SMILES |
CN(C)S(=O)(=O)N(CCC(F)(F)F)c1sc2ccccc2c1Br
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| InChI |
InChI=1S/C13H14BrF3N2O2S2/c1-18(2)23(20,21)19(8-7-13(15,16)17)12-11(14)9-5-3-4-6-10(9)22-12/h3-6H,7-8H2,1-2H3
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| InChIKey |
OUTXQGRUGHWIEE-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