General Information of the Compound
| Compound ID |
CP0431651
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| Compound Name |
(2R,3R)-3-(4-benzylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
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| Structure |
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| Formula |
C22H27NO
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| Molecular Weight |
321.464
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| Canonical SMILES |
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C22H27NO/c24-22-16-20-9-5-4-8-19(20)15-21(22)23-12-10-18(11-13-23)14-17-6-2-1-3-7-17/h1-9,18,21-22,24H,10-16H2/t21-,22-/m1/s1
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| InChIKey |
JAPCOMVHWCCKQL-FGZHOGPDSA-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