General Information of the Compound
| Compound ID |
CP0425239
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| Compound Name |
1-[4-(4-chloro-3-fluorophenoxy)but-2-ynyl]-4-[2-(4-methoxyphenyl)phenyl]piperazine
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| Formula |
C27H26ClFN2O2
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| Molecular Weight |
464.968
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| Canonical SMILES |
COc1ccc(cc1)-c1ccccc1N1CCN(CC#CCOc2ccc(Cl)c(F)c2)CC1
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| InChI |
InChI=1S/C27H26ClFN2O2/c1-32-22-10-8-21(9-11-22)24-6-2-3-7-27(24)31-17-15-30(16-18-31)14-4-5-19-33-23-12-13-25(28)26(29)20-23/h2-3,6-13,20H,14-19H2,1H3
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| InChIKey |
KHXAXCBLZXNWPD-UHFFFAOYSA-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