General Information of the Compound
| Compound ID |
CP0382985
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| Compound Name |
[4-[2-(4-ethylphenoxy)ethyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
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| Structure |
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| Formula |
C22H28N2O3
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| Molecular Weight |
368.477
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| Canonical SMILES |
CCc1ccc(OCCN2CCN(CC2)C(=O)c2ccc(OC)cc2)cc1
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| InChI |
InChI=1S/C22H28N2O3/c1-3-18-4-8-21(9-5-18)27-17-16-23-12-14-24(15-13-23)22(25)19-6-10-20(26-2)11-7-19/h4-11H,3,12-17H2,1-2H3
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| InChIKey |
UGQHLSRGZUTZMG-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