General Information of the Compound
| Compound ID |
CP0412158
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| Compound Name |
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-phenylmethanone
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| Structure |
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| Formula |
C20H24N2O3
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| Molecular Weight |
340.423
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| Canonical SMILES |
COc1ccc(OCCN2CCN(CC2)C(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C20H24N2O3/c1-24-18-7-9-19(10-8-18)25-16-15-21-11-13-22(14-12-21)20(23)17-5-3-2-4-6-17/h2-10H,11-16H2,1H3
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| InChIKey |
UXXVKIMDJCJFRO-UHFFFAOYSA-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: PT00943, D(3) dopamine receptor