General Information of the Compound
| Compound ID |
CP0386031
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| Compound Name |
(E)-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(m-tolyl)propan-1-one O-methyloxime
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| Structure |
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| Formula |
C20H26N4O
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| Molecular Weight |
338.455
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| Canonical SMILES |
CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1cccc(C)c1
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| InChI |
InChI=1S/C20H26N4O/c1-17-6-5-7-18(16-17)19(22-25-2)9-11-23-12-14-24(15-13-23)20-8-3-4-10-21-20/h3-8,10,16H,9,11-15H2,1-2H3/b22-19+
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| InChIKey |
JGJKGZVAKNHAAR-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