General Information of the Compound
| Compound ID |
CP0530721
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| Compound Name |
2-(4-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
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| Structure |
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| Formula |
C21H18N4O3S
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| Molecular Weight |
406.467
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| Canonical SMILES |
COc1ccc(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-c2nccs2)cc1
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| InChI |
InChI=1S/C21H18N4O3S/c1-13-3-8-17(28-13)20-23-16(21-22-9-10-29-21)12-18(25-20)24-19(26)11-14-4-6-15(27-2)7-5-14/h3-10,12H,11H2,1-2H3,(H,23,24,25,26)
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| InChIKey |
IDPYHDVIUQUXRL-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