General Information of the Compound
| Compound ID |
CP0174354
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| Compound Name |
US8614253, 26-24
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| Structure |
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| Formula |
C17H10F3NO2
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| Molecular Weight |
317.266
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| Canonical SMILES |
Oc1c(C=O)cc(cc1C(F)(F)F)-c1cncc2ccccc12
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| InChI |
InChI=1S/C17H10F3NO2/c18-17(19,20)15-6-11(5-12(9-22)16(15)23)14-8-21-7-10-3-1-2-4-13(10)14/h1-9,23H
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| InChIKey |
JBTVUOYJAIPGBV-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