General Information of the Compound
| Compound ID |
CP0408476
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| Compound Name |
(E)-1-(4-chlorophenyl)-3-(1-oxy-3',4',5',6'-tetrahydro-2'H-[2,4']bipyridinyl-1'-yl)propan-1-one O-methyl-oxime
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| Structure |
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| Formula |
C20H24ClN3O2
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| Molecular Weight |
373.884
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| Canonical SMILES |
CO\N=C(/CCN1CCC(CC1)c1cccc[n+]1[O-])c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H24ClN3O2/c1-26-22-19(16-5-7-18(21)8-6-16)11-15-23-13-9-17(10-14-23)20-4-2-3-12-24(20)25/h2-8,12,17H,9-11,13-15H2,1H3/b22-19+
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| InChIKey |
UXZSXFCPMYKUSL-ZBJSNUHESA-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