General Information of the Compound
| Compound ID |
CP0520170
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| Compound Name |
1-[3-(1-Cyclohexylmethyl-piperidin-4-yl)-propyl]-2-phenoxymethyl-4-(3-piperidin-1-yl-propoxy)-1H-benzoimidazole
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| Structure |
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| Formula |
C37H54N4O2
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| Molecular Weight |
586.865
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| Canonical SMILES |
C(COc1cccc2n(CCCC3CCN(CC4CCCCC4)CC3)c(COc3ccccc3)nc12)CN1CCCCC1
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| InChI |
InChI=1S/C37H54N4O2/c1-4-13-32(14-5-1)29-40-26-20-31(21-27-40)15-11-25-41-34-18-10-19-35(42-28-12-24-39-22-8-3-9-23-39)37(34)38-36(41)30-43-33-16-6-2-7-17-33/h2,6-7,10,16-19,31-32H,1,3-5,8-9,11-15,20-30H2
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| InChIKey |
TUEVSEPDWDLQOW-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