General Information of the Compound
| Compound ID |
CP0853338
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| Compound Name |
1-[3-(Mesityloxy)propyl]-4-(4-methoxyphenyl)piperazine dihydrochloride
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| Structure |
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| Formula |
C23H34Cl2N2O2
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| Molecular Weight |
441.443
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| Canonical SMILES |
COc1ccc(N2CCN(CCCOc3c(C)cc(C)cc3C)CC2)cc1.Cl.Cl
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| InChI |
InChI=1S/C23H32N2O2.2ClH/c1-18-16-19(2)23(20(3)17-18)27-15-5-10-24-11-13-25(14-12-24)21-6-8-22(26-4)9-7-21;;/h6-9,16-17H,5,10-15H2,1-4H3;2*1H
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| InChIKey |
PIDNTMJUJXPPFC-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