General Information of the Compound
| Compound ID |
CP0862665
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| Compound Name |
Methyl 3-[(3-methyl-5-phenoxy-3H-imidazo[4,5-b]pyridin-2-yl)methoxy]benzoate Dihydrochloride
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| Structure |
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| Formula |
C22H21Cl2N3O4
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| Molecular Weight |
462.333
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| Canonical SMILES |
COC(=O)c1cccc(OCc2nc3ccc(Oc4ccccc4)nc3n2C)c1.Cl.Cl
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| InChI |
InChI=1S/C22H19N3O4.2ClH/c1-25-19(14-28-17-10-6-7-15(13-17)22(26)27-2)23-18-11-12-20(24-21(18)25)29-16-8-4-3-5-9-16;;/h3-13H,14H2,1-2H3;2*1H
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| InChIKey |
JOIPXWJSXDFQQI-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