General Information of the Compound
| Compound ID |
CP0534856
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| Compound Name |
1-{3-[1-(3-Methyl-butyl)-piperidin-4-yl]-propyl}-2-phenoxymethyl-4-(3-piperidin-1-yl-propoxy)-1H-benzoimidazole
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| Structure |
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| Formula |
C35H52N4O2
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| Molecular Weight |
560.827
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| Canonical SMILES |
CC(C)CCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc23)CC1
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| InChI |
InChI=1S/C35H52N4O2/c1-29(2)17-24-38-25-18-30(19-26-38)12-10-23-39-32-15-9-16-33(40-27-11-22-37-20-7-4-8-21-37)35(32)36-34(39)28-41-31-13-5-3-6-14-31/h3,5-6,9,13-16,29-30H,4,7-8,10-12,17-28H2,1-2H3
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| InChIKey |
ZYEDUAIORZVGTL-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