General Information of the Compound
| Compound ID |
CP0397588
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| Compound Name |
US9862730, Example 249
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| Structure |
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| Formula |
C20H14FN3O2S2
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| Molecular Weight |
411.483
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| Canonical SMILES |
CSc1nn2cc(nc2s1)-c1cc2c(OCc3ccc(F)cc3)cccc2o1
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| InChI |
InChI=1S/C20H14FN3O2S2/c1-27-20-23-24-10-15(22-19(24)28-20)18-9-14-16(3-2-4-17(14)26-18)25-11-12-5-7-13(21)8-6-12/h2-10H,11H2,1H3
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| InChIKey |
UPUUKKSAQIAPKQ-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