General Information of the Compound
| Compound ID |
CP0419599
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| Compound Name |
(E)-3-[4-(4-Methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-one O-ethyloxime
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| Structure |
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| Formula |
C22H29N3O2
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| Molecular Weight |
367.493
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| Canonical SMILES |
CCO\N=C(/CCN1CCN(CC1)c1ccc(OC)cc1)c1ccccc1
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| InChI |
InChI=1S/C22H29N3O2/c1-3-27-23-22(19-7-5-4-6-8-19)13-14-24-15-17-25(18-16-24)20-9-11-21(26-2)12-10-20/h4-12H,3,13-18H2,1-2H3/b23-22+
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| InChIKey |
ZLAWFXLXUPPLDK-GHVJWSGMSA-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