General Information of the Compound
| Compound ID |
CP0174014
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| Compound Name |
2-(3,4,5-Trimethoxybenzylamino)-6-(3-acetamidophenyl)pyrazine
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| Structure |
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| Formula |
C22H24N4O4
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| Molecular Weight |
408.458
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| Canonical SMILES |
COc1cc(CNc2cncc(n2)-c2cccc(NC(C)=O)c2)cc(OC)c1OC
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| InChI |
InChI=1S/C22H24N4O4/c1-14(27)25-17-7-5-6-16(10-17)18-12-23-13-21(26-18)24-11-15-8-19(28-2)22(30-4)20(9-15)29-3/h5-10,12-13H,11H2,1-4H3,(H,24,26)(H,25,27)
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| InChIKey |
LLXKKDSZHADWJG-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