General Information of the Compound
| Compound ID |
CP0216128
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| Compound Name |
2-(4-Dimethylsulfamoyl-phenyl)-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-N-ethyl-acetamide
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| Structure |
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| Formula |
C32H41N3O3S
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| Molecular Weight |
547.765
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| Canonical SMILES |
CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(=O)(=O)N(C)C
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| InChI |
InChI=1S/C32H41N3O3S/c1-4-35(32(36)25-26-15-17-30(18-16-26)39(37,38)33(2)3)29-19-22-34(23-20-29)24-21-31(27-11-7-5-8-12-27)28-13-9-6-10-14-28/h5-18,29,31H,4,19-25H2,1-3H3
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| InChIKey |
MQFKIDUREUWWAN-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