General Information of the Compound
| Compound ID |
CP0685175
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| Compound Name |
3-{[6-(3-Chlorophenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid Hydrochloride
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| Structure |
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| Formula |
C22H18Cl2N2O4
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| Molecular Weight |
445.302
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| Canonical SMILES |
Cl.Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3cccc(Cl)c3)cc21
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| InChI |
InChI=1S/C22H17ClN2O4.ClH/c1-25-20-12-18(29-17-7-3-5-15(23)11-17)8-9-19(20)24-21(25)13-28-16-6-2-4-14(10-16)22(26)27;/h2-12H,13H2,1H3,(H,26,27);1H
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| InChIKey |
JEKCWTAFYSEFCD-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