General Information of the Compound
| Compound ID |
CP0255800
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| Compound Name |
(1S)-1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol
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| Structure |
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| Formula |
C20H25FN2O2
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| Molecular Weight |
344.43
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| Canonical SMILES |
CCOc1ccc(cc1)[C@H](O)CN1CCN(CC1)c1ccccc1F
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| InChI |
InChI=1S/C20H25FN2O2/c1-2-25-17-9-7-16(8-10-17)20(24)15-22-11-13-23(14-12-22)19-6-4-3-5-18(19)21/h3-10,20,24H,2,11-15H2,1H3/t20-/m1/s1
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| InChIKey |
HFOWGUWAWCYGBG-HXUWFJFHSA-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