General Information of the Compound
| Compound ID |
CP0538190
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| Compound Name |
US8754075, 44
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| Structure |
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| Formula |
C16H17F4N3O2
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| Molecular Weight |
359.323
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| Canonical SMILES |
C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)C2CC2(F)F)ccc1F
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| InChI |
InChI=1S/C16H17F4N3O2/c1-14(18)7-25-13(21)23-15(14,2)9-5-8(3-4-11(9)17)22-12(24)10-6-16(10,19)20/h3-5,10H,6-7H2,1-2H3,(H2,21,23)(H,22,24)/t10?,14-,15+/m0/s1
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| InChIKey |
PUJNNEOQOMQHHE-XVDHHWJWSA-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