General Information of the Compound
| Compound ID |
CP0522717
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| Compound Name |
2,6-Disubstituted Pyrazine, 66
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| Structure |
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| Formula |
C21H22N4O5
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| Molecular Weight |
410.43
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| Canonical SMILES |
COc1cc(Nc2cncc(Oc3cccc(NC(C)=O)c3)n2)cc(OC)c1OC
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| InChI |
InChI=1S/C21H22N4O5/c1-13(26)23-14-6-5-7-16(8-14)30-20-12-22-11-19(25-20)24-15-9-17(27-2)21(29-4)18(10-15)28-3/h5-12H,1-4H3,(H,23,26)(H,24,25)
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| InChIKey |
VAFXKTKSDPMAHT-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