General Information of the Compound
| Compound ID |
CP0567004
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| Compound Name |
US9862730, Example 276
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| Structure |
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| Formula |
C12H5BrFN3OS
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| Molecular Weight |
338.161
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| Canonical SMILES |
Fc1cccc2oc(cc12)-c1cn2nc(Br)sc2n1
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| InChI |
InChI=1S/C12H5BrFN3OS/c13-11-16-17-5-8(15-12(17)19-11)10-4-6-7(14)2-1-3-9(6)18-10/h1-5H
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| InChIKey |
NMNKBXCDVCWFTD-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