General Information of the Compound
| Compound ID |
CP0214777
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| Compound Name |
N-[3-(3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl)phenyl]-5-chloropyridine-2-carboxamide
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| Structure |
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| Formula |
C18H18ClN5O2
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| Molecular Weight |
371.828
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| Canonical SMILES |
CN1CC(N)=NC(C)(C1=O)c1cccc(NC(=O)c2ccc(Cl)cn2)c1
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| InChI |
InChI=1S/C18H18ClN5O2/c1-18(17(26)24(2)10-15(20)23-18)11-4-3-5-13(8-11)22-16(25)14-7-6-12(19)9-21-14/h3-9H,10H2,1-2H3,(H2,20,23)(H,22,25)
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| InChIKey |
MRYFMHAPTQCQLE-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