General Information of the Compound
| Compound ID |
CP0914420
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| Compound Name |
(+/-)-2-(1,4'-bipiperidin-1'-yl)-4-(4-fluorobenzyloxy)cyclohexanol
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| Structure |
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| Formula |
C23H35FN2O2
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| Molecular Weight |
390.543
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| Canonical SMILES |
O[C@@H]1CC[C@@H](OCc2ccc(F)cc2)C[C@H]1N1CCC(N2CCCCC2)CC1
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| InChI |
InChI=1S/C23H35FN2O2/c24-19-6-4-18(5-7-19)17-28-21-8-9-23(27)22(16-21)26-14-10-20(11-15-26)25-12-2-1-3-13-25/h4-7,20-23,27H,1-3,8-17H2/t21-,22-,23-/m1/s1
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| InChIKey |
HWJOPDRLQLCTRM-DNVJHFABSA-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