General Information of the Compound
| Compound ID |
CP0381447
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| Compound Name |
US9862730, Example 165
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| Structure |
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| Formula |
C20H13F3N4O3S
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| Molecular Weight |
446.41
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1nc2ccc(OCc3ccc(cc3)C(F)(F)F)cc2o1
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| InChI |
InChI=1S/C20H13F3N4O3S/c1-28-19-26-27-9-15(25-18(27)31-19)17-24-14-7-6-13(8-16(14)30-17)29-10-11-2-4-12(5-3-11)20(21,22)23/h2-9H,10H2,1H3
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| InChIKey |
RBZVSUIKKYXPBI-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