General Information of the Compound
| Compound ID |
CP0914731
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| Compound Name |
1-(2-Methoxy-phenyl)-4-[4-(3-styryl-isoxazol-5-yl)-butyl]-piperazine hydrochloride
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| Structure |
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| Formula |
C26H32ClN3O2
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| Molecular Weight |
454.014
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCc2cc(/C=C/c3ccccc3)no2)CC1.Cl
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| InChI |
InChI=1S/C26H31N3O2.ClH/c1-30-26-13-6-5-12-25(26)29-19-17-28(18-20-29)16-8-7-11-24-21-23(27-31-24)15-14-22-9-3-2-4-10-22;/h2-6,9-10,12-15,21H,7-8,11,16-20H2,1H3;1H/b15-14+;
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| InChIKey |
BMJXSICDMCAUOP-WPDLWGESSA-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