General Information of the Compound
| Compound ID |
CP0914421
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| Compound Name |
(+/-)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-cyclohexanol
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| Structure |
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| Formula |
C15H21NO
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| Molecular Weight |
231.339
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| Canonical SMILES |
O[C@@H]1CCCC[C@H]1N1CCc2ccccc2C1
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| InChI |
InChI=1S/C15H21NO/c17-15-8-4-3-7-14(15)16-10-9-12-5-1-2-6-13(12)11-16/h1-2,5-6,14-15,17H,3-4,7-11H2/t14-,15-/m1/s1
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| InChIKey |
TYFVIIFOPODLOW-HUUCEWRRSA-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