General Information of the Compound
| Compound ID |
CP0826618
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| Compound Name |
6-(2-(2-chloro-6-(trifluoromethyl)phenyl)-4-phenyl-1H-imidazol-5-yl)-1-(isopropylsulfonyl)-1H-benzo[d]imidazol-2-amine monomesylate
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| Structure |
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| Formula |
C27H25ClF3N5O5S2
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| Molecular Weight |
656.108
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| Canonical SMILES |
CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3[nH]c(-c4c(Cl)cccc4C(F)(F)F)nc3-c3ccccc3)cc21.CS(=O)(=O)O
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| InChI |
InChI=1S/C26H21ClF3N5O2S.CH4O3S/c1-14(2)38(36,37)35-20-13-16(11-12-19(20)32-25(35)31)23-22(15-7-4-3-5-8-15)33-24(34-23)21-17(26(28,29)30)9-6-10-18(21)27;1-5(2,3)4/h3-14H,1-2H3,(H2,31,32)(H,33,34);1H3,(H,2,3,4)
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| InChIKey |
PHJLZEGAYUWOCC-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