General Information of the Compound
| Compound ID |
CP0547216
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| Compound Name |
US9862730, Example 306
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| Structure |
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| Formula |
C13H6BrF3N4OS
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| Molecular Weight |
403.183
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| Canonical SMILES |
Cc1cc(c2cc(oc2n1)-c1cn2nc(Br)sc2n1)C(F)(F)F
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| InChI |
InChI=1S/C13H6BrF3N4OS/c1-5-2-7(13(15,16)17)6-3-9(22-10(6)18-5)8-4-21-12(19-8)23-11(14)20-21/h2-4H,1H3
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| InChIKey |
PETYJFLMIAQLJE-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