General Information of the Compound
| Compound ID |
CP0915789
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| Compound Name |
1-(2-Ethoxy-phenyl)-4-[4-(3-phenyl-isoxazol-5-yl)-butyl]-piperazine hydrochloride
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| Structure |
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| Formula |
C25H32ClN3O2
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| Molecular Weight |
442.003
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| Canonical SMILES |
CCOc1ccccc1N1CCN(CCCCc2cc(-c3ccccc3)no2)CC1.Cl
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| InChI |
InChI=1S/C25H31N3O2.ClH/c1-2-29-25-14-7-6-13-24(25)28-18-16-27(17-19-28)15-9-8-12-22-20-23(26-30-22)21-10-4-3-5-11-21;/h3-7,10-11,13-14,20H,2,8-9,12,15-19H2,1H3;1H
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| InChIKey |
UFCRLKSPZDZEGL-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor