General Information of the Compound
| Compound ID |
CP0826710
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| Compound Name |
5-(2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazol-5-yl)-3-neopentyl-3H-imidazo[4,5-b]pyridine monomesylate
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| Structure |
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| Formula |
C27H27ClFN5O3S
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| Molecular Weight |
556.063
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| Canonical SMILES |
CC(C)(C)Cn1cnc2ccc(-c3[nH]c(-c4c(F)cccc4Cl)nc3-c3ccccc3)nc21.CS(=O)(=O)O
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| InChI |
InChI=1S/C26H23ClFN5.CH4O3S/c1-26(2,3)14-33-15-29-20-13-12-19(30-25(20)33)23-22(16-8-5-4-6-9-16)31-24(32-23)21-17(27)10-7-11-18(21)28;1-5(2,3)4/h4-13,15H,14H2,1-3H3,(H,31,32);1H3,(H,2,3,4)
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| InChIKey |
KYRBVMSLQPIGDZ-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