General Information of the Compound
| Compound ID |
CP0374857
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| Compound Name |
(E)-1-phenyl-3-(4-thiazol-2-ylpiperazin-1-yl)propanon-1-one O-ethyloxime
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| Structure |
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| Formula |
C18H24N4OS
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| Molecular Weight |
344.484
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| Canonical SMILES |
CCO\N=C(/CCN1CCN(CC1)c1nccs1)c1ccccc1
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| InChI |
InChI=1S/C18H24N4OS/c1-2-23-20-17(16-6-4-3-5-7-16)8-10-21-11-13-22(14-12-21)18-19-9-15-24-18/h3-7,9,15H,2,8,10-14H2,1H3/b20-17+
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| InChIKey |
JHVJCSPJYFYTJV-LVZFUZTISA-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: PT01161, D(4) dopamine receptor