General Information of the Compound
| Compound ID |
CP0453098
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| Compound Name |
1-[3-(1-Methyl-piperidin-4-yl)-propyl]-2-phenoxymethyl-4-(3-piperidin-1-yl-propoxy)-1H-benzoimidazole
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| Structure |
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| Formula |
C31H44N4O2
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| Molecular Weight |
504.719
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| Canonical SMILES |
CN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc23)CC1
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| InChI |
InChI=1S/C31H44N4O2/c1-33-22-16-26(17-23-33)11-9-21-35-28-14-8-15-29(36-24-10-20-34-18-6-3-7-19-34)31(28)32-30(35)25-37-27-12-4-2-5-13-27/h2,4-5,8,12-15,26H,3,6-7,9-11,16-25H2,1H3
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| InChIKey |
GRDAYKOZIFYHQG-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