General Information of the Compound
| Compound ID |
CP0106713
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| Compound Name |
(4-benzyl-4-hydroxypiperidin-1-yl)-(2-ethoxynaphthalen-1-yl)methanone
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| Structure |
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| Formula |
C25H27NO3
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| Molecular Weight |
389.495
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| Canonical SMILES |
CCOc1ccc2ccccc2c1C(=O)N1CCC(O)(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C25H27NO3/c1-2-29-22-13-12-20-10-6-7-11-21(20)23(22)24(27)26-16-14-25(28,15-17-26)18-19-8-4-3-5-9-19/h3-13,28H,2,14-18H2,1H3
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| InChIKey |
WOOMTSKDELSZEB-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