General Information of the Compound
| Compound ID |
CP0389388
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| Compound Name |
US8754075, 27
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| Structure |
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| Formula |
C17H16F5N5O2
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| Molecular Weight |
417.338
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| Canonical SMILES |
Cn1nc(cc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OC[C@@H]1F)C(F)(F)F
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| InChI |
InChI=1S/C17H16F5N5O2/c1-16(12(19)7-29-15(23)25-16)9-5-8(3-4-10(9)18)24-14(28)11-6-13(17(20,21)22)26-27(11)2/h3-6,12H,7H2,1-2H3,(H2,23,25)(H,24,28)/t12-,16+/m0/s1
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| InChIKey |
PONYCQGFYCIYRU-BLLLJJGKSA-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