General Information of the Compound
| Compound ID |
CP0448895
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| Compound Name |
N-[3-(3-amino-4-thia-2-azabicyclo[5.1.0]oct-2-en-1-yl)phenyl]-5-chloropyridine-2-carboxamide
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| Structure |
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| Formula |
C18H17ClN4OS
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| Molecular Weight |
372.881
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| Canonical SMILES |
NC1=NC2(CC2CCS1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1
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| InChI |
InChI=1S/C18H17ClN4OS/c19-13-4-5-15(21-10-13)16(24)22-14-3-1-2-11(8-14)18-9-12(18)6-7-25-17(20)23-18/h1-5,8,10,12H,6-7,9H2,(H2,20,23)(H,22,24)
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| InChIKey |
WQDXYYJHDFSNIX-UHFFFAOYSA-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