General Information of the Compound
| Compound ID |
CP0403473
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| Compound Name |
US8754075, 18
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| Structure |
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| Formula |
C18H19F2N3O3
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| Molecular Weight |
363.364
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| Canonical SMILES |
Cc1cc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)OC[C@@H]2F)c(C)o1
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| InChI |
InChI=1S/C18H19F2N3O3/c1-9-6-12(10(2)26-9)16(24)22-11-4-5-14(19)13(7-11)18(3)15(20)8-25-17(21)23-18/h4-7,15H,8H2,1-3H3,(H2,21,23)(H,22,24)/t15-,18+/m0/s1
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| InChIKey |
OHCOXMADQMWRFQ-MAUKXSAKSA-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