General Information of the Compound
| Compound ID |
CP0408463
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| Compound Name |
(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-oneO-ethyloxime
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| Structure |
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| Formula |
C23H31N3O2
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| Molecular Weight |
381.52
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| Canonical SMILES |
CCO\N=C(/CCN1CCN(CC1)c1cccc(OCC)c1)c1ccccc1
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| InChI |
InChI=1S/C23H31N3O2/c1-3-27-22-12-8-11-21(19-22)26-17-15-25(16-18-26)14-13-23(24-28-4-2)20-9-6-5-7-10-20/h5-12,19H,3-4,13-18H2,1-2H3/b24-23+
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| InChIKey |
BAMIBTSAFTUXQX-WCWDXBQESA-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