General Information of the Compound
| Compound ID |
CP0867161
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| Compound Name |
1-[3-(2,4-Dimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine hydrochloride
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| Structure |
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| Formula |
C22H31ClN2O2
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| Molecular Weight |
390.955
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCOc2ccc(C)cc2C)CC1.Cl
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| InChI |
InChI=1S/C22H30N2O2.ClH/c1-18-9-10-21(19(2)17-18)26-16-6-11-23-12-14-24(15-13-23)20-7-4-5-8-22(20)25-3;/h4-5,7-10,17H,6,11-16H2,1-3H3;1H
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| InChIKey |
KLUFPWHPNQQEIE-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01005, D(2) dopamine receptor