General Information of the Compound
| Compound ID |
CP0407099
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| Compound Name |
US9862730, Example 152
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| Structure |
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| Formula |
C19H12F2N4O2S2
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| Molecular Weight |
430.461
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| Canonical SMILES |
CSc1nn2cc(nc2s1)-c1nc2ccc(OCc3cc(F)cc(F)c3)cc2o1
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| InChI |
InChI=1S/C19H12F2N4O2S2/c1-28-19-24-25-8-15(23-18(25)29-19)17-22-14-3-2-13(7-16(14)27-17)26-9-10-4-11(20)6-12(21)5-10/h2-8H,9H2,1H3
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| InChIKey |
FUYXYQWXVOYHBX-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