General Information of the Compound
| Compound ID |
CP0379538
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| Compound Name |
(E)-1-(3,4-dimethylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-propan-1-one O-methyloxime
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| Structure |
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| Formula |
C21H28N4O
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| Molecular Weight |
352.482
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| Canonical SMILES |
CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccc(C)c(C)c1
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| InChI |
InChI=1S/C21H28N4O/c1-17-7-8-19(16-18(17)2)20(23-26-3)9-11-24-12-14-25(15-13-24)21-6-4-5-10-22-21/h4-8,10,16H,9,11-15H2,1-3H3/b23-20+
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| InChIKey |
MRMGHZXOIGVEQW-BSYVCWPDSA-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