General Information of the Compound
| Compound ID |
CP0415179
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| Compound Name |
(1R,2R,4R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol
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| Structure |
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| Formula |
C22H26FNO2
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| Molecular Weight |
355.453
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| Canonical SMILES |
O[C@@H]1CC[C@H](C[C@H]1N1CCc2ccccc2C1)OCc1ccc(F)cc1
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| InChI |
InChI=1S/C22H26FNO2/c23-19-7-5-16(6-8-19)15-26-20-9-10-22(25)21(13-20)24-12-11-17-3-1-2-4-18(17)14-24/h1-8,20-22,25H,9-15H2/t20-,21-,22-/m1/s1
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| InChIKey |
IMIKZLXVBIEBOV-YPAWHYETSA-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