General Information of the Compound
| Compound ID |
CP0429607
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| Compound Name |
1-[(2,4,6-trimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine hydrochloride (4)
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| Structure |
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| Formula |
C23H32N2O2
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| Molecular Weight |
368.521
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCOc2c(C)cc(C)cc2C)CC1
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| InChI |
InChI=1S/C23H32N2O2.ClH/c1-18-16-19(2)23(20(3)17-18)27-15-7-10-24-11-13-25(14-12-24)21-8-5-6-9-22(21)26-4;/h5-6,8-9,16-17H,7,10-15H2,1-4H3;1H
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| InChIKey |
GYTCDYBYSPYDLV-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