General Information of the Compound
| Compound ID |
CP0206982
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| Compound Name |
N-ethyl-2-(4-propylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
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| Structure |
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| Formula |
C18H23NO2S
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| Molecular Weight |
317.454
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| Canonical SMILES |
CCCc1ccc(OCC(=O)N(CC)Cc2cccs2)cc1
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| InChI |
InChI=1S/C18H23NO2S/c1-3-6-15-8-10-16(11-9-15)21-14-18(20)19(4-2)13-17-7-5-12-22-17/h5,7-12H,3-4,6,13-14H2,1-2H3
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| InChIKey |
PYRAUBQQNMORPP-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