General Information of the Compound
| Compound ID |
CP0557401
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| Compound Name |
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
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| Structure |
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| Formula |
C18H22N2O3S
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| Molecular Weight |
346.452
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| Canonical SMILES |
COc1ccc(OCCN2CCN(CC2)C(=O)c2cccs2)cc1
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| InChI |
InChI=1S/C18H22N2O3S/c1-22-15-4-6-16(7-5-15)23-13-12-19-8-10-20(11-9-19)18(21)17-3-2-14-24-17/h2-7,14H,8-13H2,1H3
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| InChIKey |
GLBCKDGRFJQXSP-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