General Information of the Compound
| Compound ID |
CP0469409
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| Compound Name |
N-[3-[(1S,7S)-3-amino-4-thia-2-azabicyclo[5.1.0]oct-2-en-1-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
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| Structure |
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| Formula |
C19H16FN5OS
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| Molecular Weight |
381.436
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| Canonical SMILES |
NC1=N[C@]2(C[C@H]2CCS1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
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| InChI |
InChI=1S/C19H16FN5OS/c20-15-3-2-13(24-17(26)16-4-1-11(9-21)10-23-16)7-14(15)19-8-12(19)5-6-27-18(22)25-19/h1-4,7,10,12H,5-6,8H2,(H2,22,25)(H,24,26)/t12-,19+/m1/s1
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| InChIKey |
WTFJZOZDEFATIG-BLVKFPJESA-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: PT06225, Beta-secretase 2