General Information of the Compound
| Compound ID |
CP0400604
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| Compound Name |
US8969325, 111
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| Structure |
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| Formula |
C23H24F3N3O5
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| Molecular Weight |
479.455
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| Canonical SMILES |
CCC1(CC)C[C@@H](NC(=O)Nc2ccc3OCC(=O)Nc3c2)c2ccc(OC(F)(F)F)cc2O1
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| InChI |
InChI=1S/C23H24F3N3O5/c1-3-22(4-2)11-17(15-7-6-14(10-19(15)34-22)33-23(24,25)26)29-21(31)27-13-5-8-18-16(9-13)28-20(30)12-32-18/h5-10,17H,3-4,11-12H2,1-2H3,(H,28,30)(H2,27,29,31)/t17-/m1/s1
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| InChIKey |
PAUHKYLIUDMSRT-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