General Information of the Compound
| Compound ID |
CP0385263
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| Compound Name |
US8754075, 26
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| Structure |
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| Formula |
C15H13ClF2N4O2S
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| Molecular Weight |
386.811
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| Canonical SMILES |
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cnc(Cl)s2)ccc1F
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| InChI |
InChI=1S/C15H13ClF2N4O2S/c1-15(11(18)6-24-14(19)22-15)8-4-7(2-3-9(8)17)21-12(23)10-5-20-13(16)25-10/h2-5,11H,6H2,1H3,(H2,19,22)(H,21,23)/t11-,15+/m0/s1
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| InChIKey |
VVDUWXONJNQSOT-XHDPSFHLSA-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