General Information of the Compound
| Compound ID |
CP0961692
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| Compound Name |
Diethyl-[5-(2-fluoro-benzyl)-2-pyridin-2-ylpyrimidin-4-yl]-amine
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| Structure |
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| Formula |
C20H21FN4
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| Molecular Weight |
336.414
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| Canonical SMILES |
CCN(CC)c1nc(-c2ccccn2)ncc1Cc1ccccc1F
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| InChI |
InChI=1S/C20H21FN4/c1-3-25(4-2)20-16(13-15-9-5-6-10-17(15)21)14-23-19(24-20)18-11-7-8-12-22-18/h5-12,14H,3-4,13H2,1-2H3
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| InChIKey |
QUNILCUCERHGFQ-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