General Information of the Compound
| Compound ID |
CP0453539
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| Compound Name |
2-(4-Chloro-phenoxymethyl)-4-methyl-1-{3-[1-(3-piperidin-1-yl-propyl)-piperidin-4-yl]-propyl}-1H-benzoimidazole
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| Structure |
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| Formula |
C31H43ClN4O
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| Molecular Weight |
523.165
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| Canonical SMILES |
Cc1cccc2n(CCCC3CCN(CCCN4CCCCC4)CC3)c(COc3ccc(Cl)cc3)nc12
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| InChI |
InChI=1S/C31H43ClN4O/c1-25-8-5-10-29-31(25)33-30(24-37-28-13-11-27(32)12-14-28)36(29)21-6-9-26-15-22-35(23-16-26)20-7-19-34-17-3-2-4-18-34/h5,8,10-14,26H,2-4,6-7,9,15-24H2,1H3
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| InChIKey |
LQJLTYMDYCZNNA-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