General Information of the Compound
| Compound ID |
CP0963636
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| Compound Name |
(+/-)-2-(ethyl(3-phenylpropyl)amino)-4-(4-fluorobenzyloxy)cyclohexanol
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| Structure |
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| Formula |
C24H32FNO2
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| Molecular Weight |
385.523
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| Canonical SMILES |
CCN(CCCc1ccccc1)[C@@H]1C[C@H](OCc2ccc(F)cc2)CC[C@H]1O
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| InChI |
InChI=1S/C24H32FNO2/c1-2-26(16-6-9-19-7-4-3-5-8-19)23-17-22(14-15-24(23)27)28-18-20-10-12-21(25)13-11-20/h3-5,7-8,10-13,22-24,27H,2,6,9,14-18H2,1H3/t22-,23-,24-/m1/s1
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| InChIKey |
OXDATPXDFJPRFD-WXFUMESZSA-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