General Information of the Compound
| Compound ID |
CP0869075
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| Compound Name |
1-(2-Fluoro-phenyl)-4-[4-(3-styryl-isoxazol-5-yl)-butyl]-piperazine hydrochloride
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| Structure |
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| Formula |
C25H29ClFN3O
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| Molecular Weight |
441.978
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| Canonical SMILES |
Cl.Fc1ccccc1N1CCN(CCCCc2cc(/C=C/c3ccccc3)no2)CC1
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| InChI |
InChI=1S/C25H28FN3O.ClH/c26-24-11-4-5-12-25(24)29-18-16-28(17-19-29)15-7-6-10-23-20-22(27-30-23)14-13-21-8-2-1-3-9-21;/h1-5,8-9,11-14,20H,6-7,10,15-19H2;1H/b14-13+;
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| InChIKey |
YXVMIHQPKNHWMO-IERUDJENSA-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