General Information of the Compound
| Compound ID |
CP0567417
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| Compound Name |
3-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzene-1,2-dicarbonitrile
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| Structure |
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| Formula |
C24H17N9
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| Molecular Weight |
431.463
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| Canonical SMILES |
Cc1cccc(n1)-c1[nH]c(CNc2cccc(C#N)c2C#N)nc1-c1ccc2ncnn2c1
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| InChI |
InChI=1S/C24H17N9/c1-15-4-2-7-20(30-15)24-23(17-8-9-22-28-14-29-33(22)13-17)31-21(32-24)12-27-19-6-3-5-16(10-25)18(19)11-26/h2-9,13-14,27H,12H2,1H3,(H,31,32)
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| InChIKey |
MJYZXWGXFVSQDE-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