General Information of the Compound
| Compound ID |
CP0067956
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| Compound Name |
4-nitro-N-[2-(2-phenylsulfanylethylamino)ethyl]benzamide
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| Structure |
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| Formula |
C17H19N3O3S
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| Molecular Weight |
345.424
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)C(=O)NCCNCCSc1ccccc1
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| InChI |
InChI=1S/C17H19N3O3S/c21-17(14-6-8-15(9-7-14)20(22)23)19-11-10-18-12-13-24-16-4-2-1-3-5-16/h1-9,18H,10-13H2,(H,19,21)
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| InChIKey |
PDQAYBDQEZJIDP-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