General Information of the Compound
| Compound ID |
CP0897820
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| Compound Name |
1-{4-[3-(3-Nitro-phenyl)-isoxazol-5-yl]-butyl}-4-phenyl-piperazine hydrochloride
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| Structure |
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| Formula |
C23H27ClN4O3
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| Molecular Weight |
442.947
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| Canonical SMILES |
Cl.O=[N+]([O-])c1cccc(-c2cc(CCCCN3CCN(c4ccccc4)CC3)on2)c1
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| InChI |
InChI=1S/C23H26N4O3.ClH/c28-27(29)21-10-6-7-19(17-21)23-18-22(30-24-23)11-4-5-12-25-13-15-26(16-14-25)20-8-2-1-3-9-20;/h1-3,6-10,17-18H,4-5,11-16H2;1H
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| InChIKey |
UFMVGWHNIOFXFG-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