General Information of the Compound
| Compound ID |
CP0044299
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| Compound Name |
4-methoxy-N-((1-(2-(p-tolyloxy)ethyl)-1H-benzo[d]imidazol-2-yl)methyl)aniline
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| Structure |
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| Formula |
C24H25N3O2
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| Molecular Weight |
387.483
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| Canonical SMILES |
COc1ccc(NCc2nc3ccccc3n2CCOc2ccc(C)cc2)cc1
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| InChI |
InChI=1S/C24H25N3O2/c1-18-7-11-21(12-8-18)29-16-15-27-23-6-4-3-5-22(23)26-24(27)17-25-19-9-13-20(28-2)14-10-19/h3-14,25H,15-17H2,1-2H3
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| InChIKey |
MYKKQUWOSVUDEY-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3