General Information of the Compound
| Compound ID |
CP0546849
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| Compound Name |
N-[3-[(3R,6S)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]phenyl]-5-bromopyridine-2-carboxamide
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| Structure |
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| Formula |
C19H18BrF3N4O2
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| Molecular Weight |
471.277
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| Canonical SMILES |
C[C@]1(CO[C@@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ccc(Br)cn2)c1
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| InChI |
InChI=1S/C19H18BrF3N4O2/c1-17(10-29-18(2,16(24)27-17)19(21,22)23)11-4-3-5-13(8-11)26-15(28)14-7-6-12(20)9-25-14/h3-9H,10H2,1-2H3,(H2,24,27)(H,26,28)/t17-,18-/m0/s1
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| InChIKey |
YGNDEESWZOXXLA-ROUUACIJSA-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: PT01151, Amyloid-beta precursor protein
Protein ID: PT01020, Beta-secretase 1