General Information of the Compound
| Compound ID |
CP0725851
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| Compound Name |
3-[(1-Methyl-6-phenoxy-1H-benzimidazol-2-yl)methoxy]benzoic acid Hydrochloride
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| Structure |
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| Formula |
C22H19ClN2O4
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| Molecular Weight |
410.857
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| Canonical SMILES |
Cl.Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccccc3)cc21
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| InChI |
InChI=1S/C22H18N2O4.ClH/c1-24-20-13-18(28-16-7-3-2-4-8-16)10-11-19(20)23-21(24)14-27-17-9-5-6-15(12-17)22(25)26;/h2-13H,14H2,1H3,(H,25,26);1H
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| InChIKey |
VWLICAPZSPPLMC-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