General Information of the Compound
| Compound ID |
CP0536266
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| Compound Name |
US8969325, 174
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| Structure |
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| Formula |
C20H19F3N4O2
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| Molecular Weight |
404.392
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| Canonical SMILES |
CN1Cc2ccc(NC(=O)N[C@@H]3CCc4cc(ccc34)C(F)(F)F)cc2NC1=O
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| InChI |
InChI=1S/C20H19F3N4O2/c1-27-10-12-2-5-14(9-17(12)26-19(27)29)24-18(28)25-16-7-3-11-8-13(20(21,22)23)4-6-15(11)16/h2,4-6,8-9,16H,3,7,10H2,1H3,(H,26,29)(H2,24,25,28)/t16-/m1/s1
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| InChIKey |
HBEMOAOPEJBBLH-MRXNPFEDSA-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