General Information of the Compound
| Compound ID |
CP0389338
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| Compound Name |
US8754075, 37
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| Structure |
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| Formula |
C20H19F5N4O3
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| Molecular Weight |
458.387
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| Canonical SMILES |
C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2ncccc2OCC(F)(F)F)ccc1F
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| InChI |
InChI=1S/C20H19F5N4O3/c1-18(22)9-32-17(26)29-19(18,2)12-8-11(5-6-13(12)21)28-16(30)15-14(4-3-7-27-15)31-10-20(23,24)25/h3-8H,9-10H2,1-2H3,(H2,26,29)(H,28,30)/t18-,19+/m0/s1
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| InChIKey |
WAGVRKPPJOWFFS-RBUKOAKNSA-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
Protein ID: PT01020, Beta-secretase 1
Protein ID: PT01134, Beta-secretase 2