General Information of the Compound
| Compound ID |
CP0516803
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| Compound Name |
US8969325, 92
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| Structure |
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| Formula |
C23H20F5N3O3
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| Molecular Weight |
481.421
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| Canonical SMILES |
Cn1c2cccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(ccc34)C(F)(F)F)c2ccc1=O
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| InChI |
InChI=1S/C23H20F5N3O3/c1-31-18-4-2-3-16(14(18)7-8-20(31)32)29-21(33)30-17-10-22(11-24,12-25)34-19-9-13(23(26,27)28)5-6-15(17)19/h2-9,17H,10-12H2,1H3,(H2,29,30,33)/t17-/m1/s1
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| InChIKey |
LHNTZRWUIHEGOU-QGZVFWFLSA-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