General Information of the Compound
| Compound ID |
CP0380937
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| Compound Name |
US8754075, 38
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| Structure |
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| Formula |
C19H17F2N5O2
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| Molecular Weight |
385.374
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| Canonical SMILES |
C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
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| InChI |
InChI=1S/C19H17F2N5O2/c1-18(21)10-28-17(23)26-19(18,2)13-7-12(4-5-14(13)20)25-16(27)15-6-3-11(8-22)9-24-15/h3-7,9H,10H2,1-2H3,(H2,23,26)(H,25,27)/t18-,19+/m0/s1
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| InChIKey |
GNZDJABHDPTECH-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