General Information of the Compound
| Compound ID |
CP0396417
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| Compound Name |
US8754075, 43
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| Structure |
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| Formula |
C18H18ClF4N5O2
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| Molecular Weight |
447.82
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| Canonical SMILES |
C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2nn(CC(F)F)cc2Cl)ccc1F
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| InChI |
InChI=1S/C18H18ClF4N5O2/c1-17(23)8-30-16(24)26-18(17,2)10-5-9(3-4-12(10)20)25-15(29)14-11(19)6-28(27-14)7-13(21)22/h3-6,13H,7-8H2,1-2H3,(H2,24,26)(H,25,29)/t17-,18+/m0/s1
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| InChIKey |
FFTNLDBKNPISTD-ZWKOTPCHSA-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