General Information of the Compound
| Compound ID |
CP0853339
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| Compound Name |
1-{2-[2-(2,3-Dimethylphenoxy)ethoxy]ethyl}-4-phenethylpiperazine dihydrochloride
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| Structure |
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| Formula |
C24H36Cl2N2O2
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| Molecular Weight |
455.47
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| Canonical SMILES |
Cc1cccc(OCCOCCN2CCN(CCc3ccccc3)CC2)c1C.Cl.Cl
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| InChI |
InChI=1S/C24H34N2O2.2ClH/c1-21-7-6-10-24(22(21)2)28-20-19-27-18-17-26-15-13-25(14-16-26)12-11-23-8-4-3-5-9-23;;/h3-10H,11-20H2,1-2H3;2*1H
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| InChIKey |
IPWUJAOPCWHNKR-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: 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