General Information of the Compound
| Compound ID |
CP0415557
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| Compound Name |
US8754075, 7
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| Structure |
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| Formula |
C18H14ClF2N5O2
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| Molecular Weight |
405.792
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| Canonical SMILES |
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F
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| InChI |
InChI=1S/C18H14ClF2N5O2/c1-18(14(21)8-28-17(23)26-18)11-5-10(2-3-13(11)20)25-16(27)15-12(19)4-9(6-22)7-24-15/h2-5,7,14H,8H2,1H3,(H2,23,26)(H,25,27)/t14-,18+/m0/s1
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| InChIKey |
KYSGVAXATOXFCB-KBXCAEBGSA-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