General Information of the Compound
| Compound ID |
CP0897086
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| Compound Name |
1-{4-[3-(3,4-Dimethoxy-phenyl)-isoxazol-5-yl]-butyl}-4-phenyl-piperazine hydrochloride
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| Structure |
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| Formula |
C25H32ClN3O3
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| Molecular Weight |
458.002
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| Canonical SMILES |
COc1ccc(-c2cc(CCCCN3CCN(c4ccccc4)CC3)on2)cc1OC.Cl
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| InChI |
InChI=1S/C25H31N3O3.ClH/c1-29-24-12-11-20(18-25(24)30-2)23-19-22(31-26-23)10-6-7-13-27-14-16-28(17-15-27)21-8-4-3-5-9-21;/h3-5,8-9,11-12,18-19H,6-7,10,13-17H2,1-2H3;1H
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| InChIKey |
KBCQIYHAPYADEH-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