General Information of the Compound
| Compound ID |
CP0449774
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| Compound Name |
5-(ethoxymethyl)-N-[(3-methylimidazol-4-yl)methyl]-1-(5-methyl-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide
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| Structure |
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| Formula |
C21H28N8O2
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| Molecular Weight |
424.509
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| Canonical SMILES |
CCOCc1c(cnn1-c1ncc(C)c(n1)N1CCCC1)C(=O)NCc1cncn1C
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| InChI |
InChI=1S/C21H28N8O2/c1-4-31-13-18-17(20(30)23-11-16-10-22-14-27(16)3)12-25-29(18)21-24-9-15(2)19(26-21)28-7-5-6-8-28/h9-10,12,14H,4-8,11,13H2,1-3H3,(H,23,30)
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| InChIKey |
GPECVAUSDZMJAZ-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