General Information of the Compound
| Compound ID |
CP0777688
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| Compound Name |
6-(2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-yl)-1-neopentyl-1H-benzo[d]imidazol-2-amine bismesylate
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| Structure |
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| Formula |
C28H29F2N5O3S
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| Molecular Weight |
553.635
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| Canonical SMILES |
CC(C)(C)Cn1c(N)nc2ccc(-c3[nH]c(-c4c(F)cccc4F)nc3-c3ccccc3)cc21.CS(=O)(=O)O
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| InChI |
InChI=1S/C27H25F2N5.CH4O3S/c1-27(2,3)15-34-21-14-17(12-13-20(21)31-26(34)30)24-23(16-8-5-4-6-9-16)32-25(33-24)22-18(28)10-7-11-19(22)29;1-5(2,3)4/h4-14H,15H2,1-3H3,(H2,30,31)(H,32,33);1H3,(H,2,3,4)
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| InChIKey |
OMLMIMBQEODIGS-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