General Information of the Compound
| Compound ID |
CP0509088
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| Compound Name |
2-Benzyloxy-1-[4-(4-bromo-phenyl)-4-hydroxy-piperidin-1-yl]-ethanone
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| Structure |
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| Formula |
C20H22BrNO3
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| Molecular Weight |
404.304
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| Canonical SMILES |
OC1(CCN(CC1)C(=O)COCc1ccccc1)c1ccc(Br)cc1
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| InChI |
InChI=1S/C20H22BrNO3/c21-18-8-6-17(7-9-18)20(24)10-12-22(13-11-20)19(23)15-25-14-16-4-2-1-3-5-16/h1-9,24H,10-15H2
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| InChIKey |
GWSVOWWCECWFJG-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