General Information of the Compound
| Compound ID |
CP0461484
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| Compound Name |
4-(4-{3-[2-(4-Chloro-phenoxymethyl)-4-methyl-benzoimidazol-1-yl]-propyl}-piperidin-1-yl)-butyric acid ethyl ester
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| Structure |
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| Formula |
C29H38ClN3O3
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| Molecular Weight |
512.094
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| Canonical SMILES |
CCOC(=O)CCCN1CCC(CCCn2c(COc3ccc(Cl)cc3)nc3c(C)cccc23)CC1
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| InChI |
InChI=1S/C29H38ClN3O3/c1-3-35-28(34)10-6-17-32-19-15-23(16-20-32)8-5-18-33-26-9-4-7-22(2)29(26)31-27(33)21-36-25-13-11-24(30)12-14-25/h4,7,9,11-14,23H,3,5-6,8,10,15-21H2,1-2H3
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| InChIKey |
UEGKOUFGXLPURW-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