General Information of the Compound
| Compound ID |
CP0413066
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| Compound Name |
US10034939, Example 2
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| Structure |
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| Formula |
C12H14BrFN6O4S
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| Molecular Weight |
437.251
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| Canonical SMILES |
CS(=O)(=O)NCCNc1nonc1C(Nc1ccc(F)c(Br)c1)=NO
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| InChI |
InChI=1S/C12H14BrFN6O4S/c1-25(22,23)16-5-4-15-11-10(19-24-20-11)12(18-21)17-7-2-3-9(14)8(13)6-7/h2-3,6,16,21H,4-5H2,1H3,(H,15,20)(H,17,18)
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| InChIKey |
UCDYISCEVMDSNZ-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