General Information of the Compound
| Compound ID |
CP0484811
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| Compound Name |
US8969325, 169
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| Structure |
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| Formula |
C20H19F3N4O4
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| Molecular Weight |
436.39
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| Canonical SMILES |
CN1C(=O)NCc2c(NC(=O)N[C@H]3CCOc4cc(OC(F)(F)F)ccc34)cccc12
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| InChI |
InChI=1S/C20H19F3N4O4/c1-27-16-4-2-3-14(13(16)10-24-19(27)29)25-18(28)26-15-7-8-30-17-9-11(5-6-12(15)17)31-20(21,22)23/h2-6,9,15H,7-8,10H2,1H3,(H,24,29)(H2,25,26,28)/t15-/m0/s1
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| InChIKey |
TVKJXRMZIXGIQL-HNNXBMFYSA-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