General Information of the Compound
| Compound ID |
CP0512288
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| Compound Name |
US9428456, 2.098
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| Structure |
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| Formula |
C23H27F3N4O2
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| Molecular Weight |
448.489
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| Canonical SMILES |
CC(C)CNC(=O)C1CCN(Cc2cccc(NC(=O)c3cccc(n3)C(F)(F)F)c2)C1
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| InChI |
InChI=1S/C23H27F3N4O2/c1-15(2)12-27-21(31)17-9-10-30(14-17)13-16-5-3-6-18(11-16)28-22(32)19-7-4-8-20(29-19)23(24,25)26/h3-8,11,15,17H,9-10,12-14H2,1-2H3,(H,27,31)(H,28,32)
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| InChIKey |
LDZAKYBBANFMLZ-UHFFFAOYSA-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