General Information of the Compound
| Compound ID |
CP0485393
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| Compound Name |
1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperidine-4-carboxylic acid
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| Structure |
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| Formula |
C20H21BrClNO3
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| Molecular Weight |
438.749
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| Canonical SMILES |
OC(=O)C1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C20H21BrClNO3/c21-17-3-6-19(26-13-14-1-4-18(22)5-2-14)16(11-17)12-23-9-7-15(8-10-23)20(24)25/h1-6,11,15H,7-10,12-13H2,(H,24,25)
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| InChIKey |
ZBUQBWRLYSPOJF-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