General Information of the Compound
| Compound ID |
CP0807083
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| Compound Name |
5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-isobutyl-3H-imidazo[4,5-b]pyridine bismesylate
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| Structure |
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| Formula |
C24H31N5O3S
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| Molecular Weight |
469.611
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| Canonical SMILES |
CC(C)Cn1cnc2ccc(-c3[nH]c(C(C)(C)C)nc3-c3ccccc3)nc21.CS(=O)(=O)O
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| InChI |
InChI=1S/C23H27N5.CH4O3S/c1-15(2)13-28-14-24-18-12-11-17(25-21(18)28)20-19(16-9-7-6-8-10-16)26-22(27-20)23(3,4)5;1-5(2,3)4/h6-12,14-15H,13H2,1-5H3,(H,26,27);1H3,(H,2,3,4)
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| InChIKey |
NDBKWORQJKXTBB-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