General Information of the Compound
| Compound ID |
CP0918857
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| Compound Name |
1-(2-Ethoxy-phenyl)-4-[4-(3-thiophen-2-yl-isoxazol-5-yl)-butyl]-piperazine hydrochloride
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| Structure |
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| Formula |
C23H30ClN3O2S
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| Molecular Weight |
448.032
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| Canonical SMILES |
CCOc1ccccc1N1CCN(CCCCc2cc(-c3cccs3)no2)CC1.Cl
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| InChI |
InChI=1S/C23H29N3O2S.ClH/c1-2-27-22-10-4-3-9-21(22)26-15-13-25(14-16-26)12-6-5-8-19-18-20(24-28-19)23-11-7-17-29-23;/h3-4,7,9-11,17-18H,2,5-6,8,12-16H2,1H3;1H
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| InChIKey |
DJZRNJPOZHXUQP-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