General Information of the Compound
| Compound ID |
CP0537956
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| Compound Name |
(2R)-1-(4-chloro-3-fluorophenoxy)-3-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]propan-2-ol
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| Formula |
C26H28ClFN2O3
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| Molecular Weight |
470.972
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| Canonical SMILES |
COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2ccc(Cl)c(F)c2)CC1
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| InChI |
InChI=1S/C26H28ClFN2O3/c1-32-21-8-6-19(7-9-21)23-4-2-3-5-26(23)30-14-12-29(13-15-30)17-20(31)18-33-22-10-11-24(27)25(28)16-22/h2-11,16,20,31H,12-15,17-18H2,1H3/t20-/m1/s1
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| InChIKey |
KETBMKOEQWXFJG-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
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7