General Information of the Compound
| Compound ID |
CP0512837
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| Compound Name |
2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
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| Structure |
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| Formula |
C18H21NO2S
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| Molecular Weight |
315.438
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| Canonical SMILES |
CCN(Cc1cccs1)C(=O)COc1ccc2CCCc2c1
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| InChI |
InChI=1S/C18H21NO2S/c1-2-19(12-17-7-4-10-22-17)18(20)13-21-16-9-8-14-5-3-6-15(14)11-16/h4,7-11H,2-3,5-6,12-13H2,1H3
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| InChIKey |
JELYUBMIURRRQY-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