General Information of the Compound
| Compound ID |
CP0869072
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| Compound Name |
1-(2-Methoxy-phenyl)-4-{4-[3-(3-nitro-phenyl)-isoxazol-5-yl]-butyl}-piperazine hydrochloride
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| Structure |
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| Formula |
C24H29ClN4O4
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| Molecular Weight |
472.973
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCc2cc(-c3cccc([N+](=O)[O-])c3)no2)CC1.Cl
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| InChI |
InChI=1S/C24H28N4O4.ClH/c1-31-24-11-3-2-10-23(24)27-15-13-26(14-16-27)12-5-4-9-21-18-22(25-32-21)19-7-6-8-20(17-19)28(29)30;/h2-3,6-8,10-11,17-18H,4-5,9,12-16H2,1H3;1H
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| InChIKey |
BZEBYZHJUBJXBK-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