General Information of the Compound
| Compound ID |
CP0493029
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| Compound Name |
1-[3-(1-Isopropyl-piperidin-4-yl)-propyl]-2-phenoxymethyl-4-(3-piperidin-1-yl-propoxy)-1H-benzoimidazole
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| Structure |
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| Formula |
C33H48N4O2
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| Molecular Weight |
532.773
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| Canonical SMILES |
CC(C)N1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc23)CC1
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| InChI |
InChI=1S/C33H48N4O2/c1-27(2)36-23-17-28(18-24-36)12-10-22-37-30-15-9-16-31(38-25-11-21-35-19-7-4-8-20-35)33(30)34-32(37)26-39-29-13-5-3-6-14-29/h3,5-6,9,13-16,27-28H,4,7-8,10-12,17-26H2,1-2H3
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| InChIKey |
VVXBOBKGMAPTTF-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