General Information of the Compound
| Compound ID |
CP0727670
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| Compound Name |
6-(4-(2,4-difluorophenyl)-2-methyl-1H-imidazol-5-yl)-1-(isopropylsulfonyl)-1H-benzo[d]imidazol-2-amine monomesylate
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| Structure |
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| Formula |
C21H23F2N5O5S2
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| Molecular Weight |
527.575
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| Canonical SMILES |
CS(=O)(=O)O.Cc1nc(-c2ccc(F)cc2F)c(-c2ccc3nc(N)n(S(=O)(=O)C(C)C)c3c2)[nH]1
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| InChI |
InChI=1S/C20H19F2N5O2S.CH4O3S/c1-10(2)30(28,29)27-17-8-12(4-7-16(17)26-20(27)23)18-19(25-11(3)24-18)14-6-5-13(21)9-15(14)22;1-5(2,3)4/h4-10H,1-3H3,(H2,23,26)(H,24,25);1H3,(H,2,3,4)
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| InChIKey |
HWEHYUDTWMIDEG-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