General Information of the Compound
| Compound ID |
CP0122408
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| Compound Name |
1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-ethoxypiperidine
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| Structure |
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| Formula |
C21H25BrClNO2
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| Molecular Weight |
438.793
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| Canonical SMILES |
CCOC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C21H25BrClNO2/c1-2-25-20-9-11-24(12-10-20)14-17-13-18(22)5-8-21(17)26-15-16-3-6-19(23)7-4-16/h3-8,13,20H,2,9-12,14-15H2,1H3
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| InChIKey |
XNBJPXOJYKURSF-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