General Information of the Compound
| Compound ID |
CP0412091
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| Compound Name |
1-benzothiophen-2-yl-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C22H24N2O3S
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| Molecular Weight |
396.512
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| Canonical SMILES |
COc1ccc(OCCN2CCN(CC2)C(=O)c2cc3ccccc3s2)cc1
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| InChI |
InChI=1S/C22H24N2O3S/c1-26-18-6-8-19(9-7-18)27-15-14-23-10-12-24(13-11-23)22(25)21-16-17-4-2-3-5-20(17)28-21/h2-9,16H,10-15H2,1H3
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| InChIKey |
IXKQJYVTAYRJTF-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