General Information of the Compound
| Compound ID |
CP0938802
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| Compound Name |
2-(3,4,5-Trimethoxyphenylamino)-6-(tetralonyl-1-oxime-6-oxy)-pyrazine
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| Structure |
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| Formula |
C23H24N4O5
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| Molecular Weight |
436.468
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| Canonical SMILES |
COc1cc(Nc2cncc(Oc3ccc4c(c3)CCC/C4=N\O)n2)cc(OC)c1OC
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| InChI |
InChI=1S/C23H24N4O5/c1-29-19-10-15(11-20(30-2)23(19)31-3)25-21-12-24-13-22(26-21)32-16-7-8-17-14(9-16)5-4-6-18(17)27-28/h7-13,28H,4-6H2,1-3H3,(H,25,26)/b27-18+
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| InChIKey |
AKOGDKUGIDCVSD-OVVQPSECSA-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