General Information of the Compound
| Compound ID |
CP0398978
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| Compound Name |
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide
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| Structure |
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| Formula |
C23H22FN5O3
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| Molecular Weight |
435.459
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| Canonical SMILES |
COc1ccc(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)cc1F
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| InChI |
InChI=1S/C23H22FN5O3/c1-13-9-14(2)29(28-13)21-12-20(26-23(27-21)19-7-5-15(3)32-19)25-22(30)11-16-6-8-18(31-4)17(24)10-16/h5-10,12H,11H2,1-4H3,(H,25,26,27,30)
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| InChIKey |
ZQGVNCZTGPFGSM-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