General Information of the Compound
| Compound ID |
CP0376015
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| Compound Name |
5-(ethoxymethyl)-1-(4-ethoxy-5-methylpyrimidin-2-yl)-N-[(3-methylimidazol-4-yl)methyl]pyrazole-4-carboxamide
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| Structure |
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| Formula |
C19H25N7O3
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| Molecular Weight |
399.455
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| Canonical SMILES |
CCOCc1c(cnn1-c1ncc(C)c(OCC)n1)C(=O)NCc1cncn1C
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| InChI |
InChI=1S/C19H25N7O3/c1-5-28-11-16-15(17(27)21-9-14-8-20-12-25(14)4)10-23-26(16)19-22-7-13(3)18(24-19)29-6-2/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,21,27)
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| InChIKey |
WWXGGLAXKXJKEP-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