General Information of the Compound
| Compound ID |
CP0490040
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| Compound Name |
N-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-methylsulfanylaniline
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| Structure |
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| Formula |
C23H21N7S
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| Molecular Weight |
427.537
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| Canonical SMILES |
CSc1ccccc1NCc1nc(c([nH]1)-c1cccc(C)n1)-c1ccc2ncnn2c1
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| InChI |
InChI=1S/C23H21N7S/c1-15-6-5-8-18(27-15)23-22(16-10-11-21-25-14-26-30(21)13-16)28-20(29-23)12-24-17-7-3-4-9-19(17)31-2/h3-11,13-14,24H,12H2,1-2H3,(H,28,29)
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| InChIKey |
XCZVLCKUZLMMGF-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