General Information of the Compound
| Compound ID |
CP0080249
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| Compound Name |
4-[4-(4-Chloro-phenyl)-piperazin-1-yl]-1-(4-fluoro-phenyl)-butan-1-one; hydrochloride
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| Structure |
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| Formula |
C20H22ClFN2O
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| Molecular Weight |
360.86
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H22ClFN2O/c21-17-5-9-19(10-6-17)24-14-12-23(13-15-24)11-1-2-20(25)16-3-7-18(22)8-4-16/h3-10H,1-2,11-15H2
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| InChIKey |
ROKAKGMAWJNFEN-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