General Information of the Compound
| Compound ID |
CP0661622
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| Compound Name |
5-(2-tert-butyl-4-(2,4-difluorophenyl)-1H-imidazol-5-yl)-3-neopentyl-3H-imidazo[4,5-b]pyridine monomesylate
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| Structure |
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| Formula |
C25H31F2N5O3S
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| Molecular Weight |
519.618
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| Canonical SMILES |
CC(C)(C)Cn1cnc2ccc(-c3[nH]c(C(C)(C)C)nc3-c3ccc(F)cc3F)nc21.CS(=O)(=O)O
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| InChI |
InChI=1S/C24H27F2N5.CH4O3S/c1-23(2,3)12-31-13-27-18-10-9-17(28-21(18)31)20-19(29-22(30-20)24(4,5)6)15-8-7-14(25)11-16(15)26;1-5(2,3)4/h7-11,13H,12H2,1-6H3,(H,29,30);1H3,(H,2,3,4)
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| InChIKey |
MDKYZFKCLGOLMH-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