General Information of the Compound
| Compound ID |
CP0555135
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| Compound Name |
2-(4-Chloro-phenoxymethyl)-4-methyl-1-{3-[1-(3-methyl-butyl)-piperidin-4-yl]-propyl}-1H-benzoimidazole
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| Structure |
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| Formula |
C28H38ClN3O
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| Molecular Weight |
468.085
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| Canonical SMILES |
CC(C)CCN1CCC(CCCn2c(COc3ccc(Cl)cc3)nc3c(C)cccc23)CC1
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| InChI |
InChI=1S/C28H38ClN3O/c1-21(2)13-17-31-18-14-23(15-19-31)7-5-16-32-26-8-4-6-22(3)28(26)30-27(32)20-33-25-11-9-24(29)10-12-25/h4,6,8-12,21,23H,5,7,13-20H2,1-3H3
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| InChIKey |
HFDKQLUXTAJGHK-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