General Information of the Compound
| Compound ID |
CP0890625
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| Compound Name |
1-[4-(3-Phenyl-isoxazol-5-yl)-butyl]-4-o-tolyl-piperazine hydrochloride
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| Structure |
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| Formula |
C24H30ClN3O
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| Molecular Weight |
411.977
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| Canonical SMILES |
Cc1ccccc1N1CCN(CCCCc2cc(-c3ccccc3)no2)CC1.Cl
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| InChI |
InChI=1S/C24H29N3O.ClH/c1-20-9-5-6-13-24(20)27-17-15-26(16-18-27)14-8-7-12-22-19-23(25-28-22)21-10-3-2-4-11-21;/h2-6,9-11,13,19H,7-8,12,14-18H2,1H3;1H
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| InChIKey |
UGDAYFSLNWLBJJ-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