General Information of the Compound
| Compound ID |
CP0542197
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| Compound Name |
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
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| Structure |
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| Formula |
C17H19ClN2O2S
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| Molecular Weight |
350.871
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| Canonical SMILES |
Clc1ccc(OCCN2CCN(CC2)C(=O)c2cccs2)cc1
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| InChI |
InChI=1S/C17H19ClN2O2S/c18-14-3-5-15(6-4-14)22-12-11-19-7-9-20(10-8-19)17(21)16-2-1-13-23-16/h1-6,13H,7-12H2
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| InChIKey |
SGDHXLWNTUBFHC-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