General Information of the Compound
| Compound ID |
CP0874409
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| Compound Name |
1-(2-{[6-(4-Amino-3,5-dimethylphenoxy)-1-methyl-1Hbenzimidazol-2-yl]methoxy}phenyl)ethanone dihydrochloride
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| Structure |
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| Formula |
C25H27Cl2N3O3
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| Molecular Weight |
488.415
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| Canonical SMILES |
CC(=O)c1ccccc1OCc1nc2ccc(Oc3cc(C)c(N)c(C)c3)cc2n1C.Cl.Cl
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| InChI |
InChI=1S/C25H25N3O3.2ClH/c1-15-11-19(12-16(2)25(15)26)31-18-9-10-21-22(13-18)28(4)24(27-21)14-30-23-8-6-5-7-20(23)17(3)29;;/h5-13H,14,26H2,1-4H3;2*1H
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| InChIKey |
JFZBCRIFGJWOAF-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