General Information of the Compound
| Compound ID |
CP0395337
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| Compound Name |
(E)-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one O-butyloxime
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| Structure |
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| Formula |
C22H30N4O
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| Molecular Weight |
366.509
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| Canonical SMILES |
CCCCO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccccc1
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| InChI |
InChI=1S/C22H30N4O/c1-2-3-19-27-24-21(20-9-5-4-6-10-20)12-14-25-15-17-26(18-16-25)22-11-7-8-13-23-22/h4-11,13H,2-3,12,14-19H2,1H3/b24-21+
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| InChIKey |
GKAHQRUGLPWNGV-DARPEHSRSA-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