General Information of the Compound
| Compound ID |
CP0453910
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| Compound Name |
2-ethoxy-N-[1-[2-(2-phenylphenyl)sulfanylethyl]piperidin-4-yl]benzamide
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| Structure |
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| Formula |
C28H32N2O2S
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| Molecular Weight |
460.643
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| Canonical SMILES |
CCOc1ccccc1C(=O)NC1CCN(CCSc2ccccc2-c2ccccc2)CC1
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| InChI |
InChI=1S/C28H32N2O2S/c1-2-32-26-14-8-6-13-25(26)28(31)29-23-16-18-30(19-17-23)20-21-33-27-15-9-7-12-24(27)22-10-4-3-5-11-22/h3-15,23H,2,16-21H2,1H3,(H,29,31)
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| InChIKey |
NBXMXIMHLSDPSM-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