General Information of the Compound
| Compound ID |
CP0441479
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| Compound Name |
1-(4-(diethylamino)phenyl)-2-(phenylsulfonyl)ethanone
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| Structure |
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| Formula |
C18H21NO3S
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| Molecular Weight |
331.437
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| Canonical SMILES |
CCN(CC)c1ccc(cc1)C(=O)CS(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C18H21NO3S/c1-3-19(4-2)16-12-10-15(11-13-16)18(20)14-23(21,22)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3
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| InChIKey |
UNQNBBRDLFSGFT-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