General Information of the Compound
| Compound ID |
CP0435209
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| Compound Name |
2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methyl-[(4-methoxyphenyl)methyl]amino]ethanol
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| Structure |
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| Formula |
C25H33N3O3
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| Molecular Weight |
423.557
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| Canonical SMILES |
COc1ccc(CN(CCO)Cc2nc3c(OCC4CCCCC4)cccc3[nH]2)cc1
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| InChI |
InChI=1S/C25H33N3O3/c1-30-21-12-10-19(11-13-21)16-28(14-15-29)17-24-26-22-8-5-9-23(25(22)27-24)31-18-20-6-3-2-4-7-20/h5,8-13,20,29H,2-4,6-7,14-18H2,1H3,(H,26,27)
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| InChIKey |
ZDAHXPHBNYETGJ-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