General Information of the Compound
| Compound ID |
CP0479743
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| Compound Name |
1-[3-(1-But-3-enyl-piperidin-4-yl)-propyl]-2-phenoxymethyl-4-(3-piperidin-1-yl-propoxy)-1H-benzoimidazole
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| Structure |
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| Formula |
C34H48N4O2
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| Molecular Weight |
544.784
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| Canonical SMILES |
C=CCCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc23)CC1
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| InChI |
InChI=1S/C34H48N4O2/c1-2-3-20-37-25-18-29(19-26-37)13-11-24-38-31-16-10-17-32(39-27-12-23-36-21-8-5-9-22-36)34(31)35-33(38)28-40-30-14-6-4-7-15-30/h2,4,6-7,10,14-17,29H,1,3,5,8-9,11-13,18-28H2
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| InChIKey |
SAUORJSDTGQWBS-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