General Information of the Compound
| Compound ID |
CP0895111
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| Compound Name |
1-(2-Methoxy-phenyl)-4-[4-(3-thiophen-2-yl-isoxazol-5-yl)-butyl]-piperazine hydrochloride
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| Structure |
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| Formula |
C22H28ClN3O2S
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| Molecular Weight |
434.005
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCc2cc(-c3cccs3)no2)CC1.Cl
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| InChI |
InChI=1S/C22H27N3O2S.ClH/c1-26-21-9-3-2-8-20(21)25-14-12-24(13-15-25)11-5-4-7-18-17-19(23-27-18)22-10-6-16-28-22;/h2-3,6,8-10,16-17H,4-5,7,11-15H2,1H3;1H
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| InChIKey |
UYGXAJSFPKGBBQ-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