General Information of the Compound
| Compound ID |
CP0479536
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| Compound Name |
2-ethoxy-N-[[1-[2-(2-methylsulfanylphenoxy)ethyl]piperidin-4-yl]methyl]benzamide
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| Structure |
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| Formula |
C24H32N2O3S
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| Molecular Weight |
428.598
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| Canonical SMILES |
CCOc1ccccc1C(=O)NCC1CCN(CCOc2ccccc2SC)CC1
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| InChI |
InChI=1S/C24H32N2O3S/c1-3-28-21-9-5-4-8-20(21)24(27)25-18-19-12-14-26(15-13-19)16-17-29-22-10-6-7-11-23(22)30-2/h4-11,19H,3,12-18H2,1-2H3,(H,25,27)
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| InChIKey |
QFRZBMLFQKNCFQ-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