General Information of the Compound
| Compound ID |
CP0210248
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| Compound Name |
US9765054, Compound 68
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| Structure |
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| Formula |
C16H13F3N2O2
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| Molecular Weight |
322.286
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| Canonical SMILES |
ONC(=O)[C@@H]1[C@@H]([C@H]1c1cncc(c1)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C16H13F3N2O2/c17-16(18,19)11-6-10(7-20-8-11)13-12(14(13)15(22)21-23)9-4-2-1-3-5-9/h1-8,12-14,23H,(H,21,22)/t12-,13-,14-/m1/s1
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| InChIKey |
KTNCYHBAMISWDO-MGPQQGTHSA-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