General Information of the Compound
| Compound ID |
CP0548867
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| Compound Name |
US9862730, Example 240
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| Structure |
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| Formula |
C15H8F5N3O2S
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| Molecular Weight |
389.305
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| Canonical SMILES |
CC(F)(F)c1nn2cc(nc2s1)-c1cc2cccc(OC(F)(F)F)c2o1
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| InChI |
InChI=1S/C15H8F5N3O2S/c1-14(16,17)12-22-23-6-8(21-13(23)26-12)10-5-7-3-2-4-9(11(7)24-10)25-15(18,19)20/h2-6H,1H3
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| InChIKey |
ZFIKOGAAMLEMKO-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