General Information of the Compound
| Compound ID |
CP0565421
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| Compound Name |
3-[(dimethylamino)methyl]-5-[[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)Cc1cc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cc(c1)C#N
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| InChI |
InChI=1S/C26H25N9/c1-17-5-4-6-22(31-17)26-25(20-7-8-24-29-16-30-35(24)15-20)32-23(33-26)13-28-21-10-18(12-27)9-19(11-21)14-34(2)3/h4-11,15-16,28H,13-14H2,1-3H3,(H,32,33)
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| InChIKey |
DPPWGFZLKKSGLV-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