General Information of the Compound
| Compound ID |
CP0544985
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| Compound Name |
(4-{3-[2-(4-Chloro-phenoxymethyl)-4-methyl-benzoimidazol-1-yl]-propyl}-piperidin-1-yl)-acetic acid ethyl ester
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| Structure |
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| Formula |
C27H34ClN3O3
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| Molecular Weight |
484.04
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| Canonical SMILES |
CCOC(=O)CN1CCC(CCCn2c(COc3ccc(Cl)cc3)nc3c(C)cccc23)CC1
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| InChI |
InChI=1S/C27H34ClN3O3/c1-3-33-26(32)18-30-16-13-21(14-17-30)7-5-15-31-24-8-4-6-20(2)27(24)29-25(31)19-34-23-11-9-22(28)10-12-23/h4,6,8-12,21H,3,5,7,13-19H2,1-2H3
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| InChIKey |
QQESFFIOZSDOMA-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