General Information of the Compound
| Compound ID |
CP0837940
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| Compound Name |
6-(2-(2,6-dichlorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)-1-(isopropylsulfonyl)-1H-benzo[d]imidazol-2-amine monomesylate
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| Structure |
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| Formula |
C26H24Cl2FN5O5S2
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| Molecular Weight |
640.546
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| Canonical SMILES |
CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3[nH]c(-c4c(Cl)cccc4Cl)nc3-c3ccc(F)cc3)cc21.CS(=O)(=O)O
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| InChI |
InChI=1S/C25H20Cl2FN5O2S.CH4O3S/c1-13(2)36(34,35)33-20-12-15(8-11-19(20)30-25(33)29)23-22(14-6-9-16(28)10-7-14)31-24(32-23)21-17(26)4-3-5-18(21)27;1-5(2,3)4/h3-13H,1-2H3,(H2,29,30)(H,31,32);1H3,(H,2,3,4)
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| InChIKey |
PDSMERZPTTYLFE-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