General Information of the Compound
| Compound ID |
CP0528520
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| Compound Name |
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine
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| Structure |
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| Formula |
C19H21N3O2S
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| Molecular Weight |
355.463
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| Canonical SMILES |
COc1ccc(CCNc2cc(nc(OC)n2)-c2ccc(C)s2)cc1
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| InChI |
InChI=1S/C19H21N3O2S/c1-13-4-9-17(25-13)16-12-18(22-19(21-16)24-3)20-11-10-14-5-7-15(23-2)8-6-14/h4-9,12H,10-11H2,1-3H3,(H,20,21,22)
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| InChIKey |
HAWMPRDKLCDHIP-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