General Information of the Compound
| Compound ID |
CP0946267
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| Compound Name |
5-(2-Fluoro-benzyl)-N,N'-diisopropyl-2-pyridin-2-yl-pyrimidine-4,6-di amine
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| Structure |
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| Formula |
C22H26FN5
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| Molecular Weight |
379.483
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| Canonical SMILES |
CC(C)Nc1nc(-c2ccccn2)nc(NC(C)C)c1Cc1ccccc1F
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| InChI |
InChI=1S/C22H26FN5/c1-14(2)25-20-17(13-16-9-5-6-10-18(16)23)21(26-15(3)4)28-22(27-20)19-11-7-8-12-24-19/h5-12,14-15H,13H2,1-4H3,(H2,25,26,27,28)
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| InChIKey |
YKWIJCVFXDRORF-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