General Information of the Compound
| Compound ID |
CP0469956
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| Compound Name |
US8969325, 256
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| Structure |
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| Formula |
C23H24F3N3O3
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| Molecular Weight |
447.457
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| Canonical SMILES |
CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CC(C)(C)Oc4c3cccc4C(F)(F)F)cc12
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| InChI |
InChI=1S/C23H24F3N3O3/c1-22(2)12-17(15-5-4-6-16(20(15)32-22)23(24,25)26)28-21(31)27-14-9-7-13-8-10-19(30)29(3)18(13)11-14/h4-7,9,11,17H,8,10,12H2,1-3H3,(H2,27,28,31)/t17-/m1/s1
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| InChIKey |
YBTIDOTWMOOPNV-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