General Information of the Compound
| Compound ID |
CP0410111
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| Compound Name |
2-[(dimethylamino)methyl]-3-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile
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| Structure |
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| Formula |
C26H25N9
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| Molecular Weight |
463.549
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| Canonical SMILES |
CN(C)Cc1c(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cccc1C#N
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| InChI |
InChI=1S/C26H25N9/c1-17-6-4-9-22(31-17)26-25(19-10-11-24-29-16-30-35(24)14-19)32-23(33-26)13-28-21-8-5-7-18(12-27)20(21)15-34(2)3/h4-11,14,16,28H,13,15H2,1-3H3,(H,32,33)
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| InChIKey |
RRLYHXUPURJIJM-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