General Information of the Compound
| Compound ID |
CP0511253
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| Compound Name |
(4-{3-[2-(4-Chloro-phenoxymethyl)-4-methyl-benzoimidazol-1-yl]-propyl}-piperidin-1-yl)-acetic acid
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| Structure |
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| Formula |
C25H30ClN3O3
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| Molecular Weight |
455.986
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| Canonical SMILES |
Cc1cccc2n(CCCC3CCN(CC(O)=O)CC3)c(COc3ccc(Cl)cc3)nc12
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| InChI |
InChI=1S/C25H30ClN3O3/c1-18-4-2-6-22-25(18)27-23(17-32-21-9-7-20(26)8-10-21)29(22)13-3-5-19-11-14-28(15-12-19)16-24(30)31/h2,4,6-10,19H,3,5,11-17H2,1H3,(H,30,31)
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| InChIKey |
JUDWLBHPOLUVKF-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