General Information of the Compound
| Compound ID |
CP0406393
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| Compound Name |
2-[[2-[(2R)-2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]ethylamino]methyl]phenol
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| Structure |
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| Formula |
C23H30FNO2
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| Molecular Weight |
371.496
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| Canonical SMILES |
CC[C@]1(C)CC(CCNCc2ccccc2O)(CCO1)c1ccc(F)cc1
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| InChI |
InChI=1S/C23H30FNO2/c1-3-22(2)17-23(13-15-27-22,19-8-10-20(24)11-9-19)12-14-25-16-18-6-4-5-7-21(18)26/h4-11,25-26H,3,12-17H2,1-2H3/t22-,23?/m1/s1
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| InChIKey |
GNRUCBIEUBRFDK-WTQRLHSKSA-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