General Information of the Compound
| Compound ID |
CP0397587
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| Compound Name |
US9862730, Example 250
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| Structure |
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| Formula |
C21H15F2N3O2S
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| Molecular Weight |
411.433
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| Canonical SMILES |
CC(F)(F)c1nn2cc(nc2s1)-c1cc2c(OCc3ccccc3)cccc2o1
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| InChI |
InChI=1S/C21H15F2N3O2S/c1-21(22,23)19-25-26-11-15(24-20(26)29-19)18-10-14-16(8-5-9-17(14)28-18)27-12-13-6-3-2-4-7-13/h2-11H,12H2,1H3
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| InChIKey |
ALRJLXDRBHPVLV-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