General Information of the Compound
| Compound ID |
CP0550509
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| Compound Name |
US8969325, 289
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| Structure |
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| Formula |
C23H23F4N3O3
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| Molecular Weight |
465.447
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| Canonical SMILES |
CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3C[C@@](C)(CF)Oc4cc(ccc34)C(F)(F)F)cc12
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| InChI |
InChI=1S/C23H23F4N3O3/c1-22(12-24)11-17(16-7-5-14(23(25,26)27)9-19(16)33-22)29-21(32)28-15-6-3-13-4-8-20(31)30(2)18(13)10-15/h3,5-7,9-10,17H,4,8,11-12H2,1-2H3,(H2,28,29,32)/t17-,22+/m1/s1
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| InChIKey |
ACWAWZJLCIAYME-VGSWGCGISA-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