General Information of the Compound
| Compound ID |
CP0514910
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| Compound Name |
2-(4-Chloro-phenoxymethyl)-4-methyl-1-[3-(1-phenethyl-piperidin-4-yl)-propyl]-1H-benzoimidazole
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| Structure |
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| Formula |
C31H36ClN3O
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| Molecular Weight |
502.102
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| Canonical SMILES |
Cc1cccc2n(CCCC3CCN(CCc4ccccc4)CC3)c(COc3ccc(Cl)cc3)nc12
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| InChI |
InChI=1S/C31H36ClN3O/c1-24-7-5-11-29-31(24)33-30(23-36-28-14-12-27(32)13-15-28)35(29)19-6-10-26-17-21-34(22-18-26)20-16-25-8-3-2-4-9-25/h2-5,7-9,11-15,26H,6,10,16-23H2,1H3
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| InChIKey |
KOHULFAZZWRIGP-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