General Information of the Compound
| Compound ID |
CP0427297
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| Compound Name |
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(3-methylsulfonylphenyl)pyrimidin-4-amine
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| Structure |
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| Formula |
C21H23N3O4S
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| Molecular Weight |
413.499
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| Canonical SMILES |
COc1ccc(CCNc2cc(nc(OC)n2)-c2cccc(c2)S(C)(=O)=O)cc1
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| InChI |
InChI=1S/C21H23N3O4S/c1-27-17-9-7-15(8-10-17)11-12-22-20-14-19(23-21(24-20)28-2)16-5-4-6-18(13-16)29(3,25)26/h4-10,13-14H,11-12H2,1-3H3,(H,22,23,24)
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| InChIKey |
IGZMGPZHXBYBIX-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