General Information of the Compound
| Compound ID |
CP0488985
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| Compound Name |
US8754075, 48
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| Structure |
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| Formula |
C19H16Cl2F4N4O3
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| Molecular Weight |
495.26
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| Canonical SMILES |
C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F
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| InChI |
InChI=1S/C19H16Cl2F4N4O3/c1-18(14(7-31-17(26)29-18)32-8-19(23,24)25)11-5-10(2-3-13(11)22)28-16(30)15-12(21)4-9(20)6-27-15/h2-6,14H,7-8H2,1H3,(H2,26,29)(H,28,30)/t14-,18+/m0/s1
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| InChIKey |
RNACDDOYNBSODP-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