General Information of the Compound
| Compound ID |
CP0440748
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| Compound Name |
5-[(dimethylamino)methyl]-2-fluoro-N-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
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| Structure |
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| Formula |
C25H25FN8
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| Molecular Weight |
456.529
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| Canonical SMILES |
CN(C)Cc1ccc(F)c(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)c1
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| InChI |
InChI=1S/C25H25FN8/c1-16-5-4-6-20(30-16)25-24(18-8-10-23-28-15-29-34(23)14-18)31-22(32-25)12-27-21-11-17(13-33(2)3)7-9-19(21)26/h4-11,14-15,27H,12-13H2,1-3H3,(H,31,32)
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| InChIKey |
UQPZIEFXDJIDMD-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