General Information of the Compound
| Compound ID |
CP0549389
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| Compound Name |
US9862730, Example 302
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| Structure |
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| Formula |
C20H13BrFN3O3S
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| Molecular Weight |
474.311
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| Canonical SMILES |
COc1cc(OCc2ccc(F)cc2)c2cc(oc2c1)-c1cn2nc(Br)sc2n1
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| InChI |
InChI=1S/C20H13BrFN3O3S/c1-26-13-6-16(27-10-11-2-4-12(22)5-3-11)14-8-18(28-17(14)7-13)15-9-25-20(23-15)29-19(21)24-25/h2-9H,10H2,1H3
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| InChIKey |
HEWDPXHAMBBOEQ-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