General Information of the Compound
| Compound ID |
CP0506705
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| Compound Name |
3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methoxypyridin-3-yl)pyrazin-2-amine
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| Structure |
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| Formula |
C20H18FN7O2
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| Molecular Weight |
407.409
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| Canonical SMILES |
COc1ncccc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)n1
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| InChI |
InChI=1S/C20H18FN7O2/c1-12(15-10-13(21)5-6-17(15)28-25-8-9-26-28)30-20-18(22)24-11-16(27-20)14-4-3-7-23-19(14)29-2/h3-12H,1-2H3,(H2,22,24)/t12-/m1/s1
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| InChIKey |
RXGKFHNEIKQBGI-GFCCVEGCSA-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