General Information of the Compound
| Compound ID |
CP0421085
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| Compound Name |
1-benzothiophen-2-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
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| Structure |
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| Formula |
C20H21N3O2S
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| Molecular Weight |
367.474
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| Canonical SMILES |
O=C(N1CCN(CCOc2cccnc2)CC1)c1cc2ccccc2s1
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| InChI |
InChI=1S/C20H21N3O2S/c24-20(19-14-16-4-1-2-6-18(16)26-19)23-10-8-22(9-11-23)12-13-25-17-5-3-7-21-15-17/h1-7,14-15H,8-13H2
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| InChIKey |
APECYVWEUYUQKJ-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