General Information of the Compound
| Compound ID |
CP0338073
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| Compound Name |
4-N-(3H-benzimidazol-5-yl)-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C20H20N6O3
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| Molecular Weight |
392.419
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| Canonical SMILES |
COc1cc(Nc2nccc(Nc3ccc4nc[nH]c4c3)n2)cc(OC)c1OC
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| InChI |
InChI=1S/C20H20N6O3/c1-27-16-9-13(10-17(28-2)19(16)29-3)25-20-21-7-6-18(26-20)24-12-4-5-14-15(8-12)23-11-22-14/h4-11H,1-3H3,(H,22,23)(H2,21,24,25,26)
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| InChIKey |
WTEXDEQWHXZJPA-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