General Information of the Compound
| Compound ID |
CP0574062
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| Compound Name |
US9862730, Example 193
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| Structure |
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| Formula |
C11H4BrFN4S2
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| Molecular Weight |
355.217
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| Canonical SMILES |
Fc1ccc2sc(nc2c1)-c1cn2nc(Br)sc2n1
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| InChI |
InChI=1S/C11H4BrFN4S2/c12-10-16-17-4-7(15-11(17)19-10)9-14-6-3-5(13)1-2-8(6)18-9/h1-4H
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| InChIKey |
PALOVIIXGBARNG-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