General Information of the Compound
| Compound ID |
CP0348689
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| Compound Name |
4-N-quinoxalin-6-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C21H20N6O3
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| Molecular Weight |
404.43
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| Canonical SMILES |
COc1cc(Nc2nccc(Nc3ccc4nccnc4c3)n2)cc(OC)c1OC
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| InChI |
InChI=1S/C21H20N6O3/c1-28-17-11-14(12-18(29-2)20(17)30-3)26-21-24-7-6-19(27-21)25-13-4-5-15-16(10-13)23-9-8-22-15/h4-12H,1-3H3,(H2,24,25,26,27)
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| InChIKey |
KUUPDPUKVLILKM-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