General Information of the Compound
| Compound ID |
CP0698544
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| Compound Name |
N-{2,5-Diethoxy-4-[(3-phenyl-ureido)-methyl]-phenyl}-methanesulfonamide
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| Structure |
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| Formula |
C19H25N3O5S
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| Molecular Weight |
407.492
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| Canonical SMILES |
CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccccc1
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| InChI |
InChI=1S/C19H25N3O5S/c1-4-26-17-12-16(22-28(3,24)25)18(27-5-2)11-14(17)13-20-19(23)21-15-9-7-6-8-10-15/h6-12,22H,4-5,13H2,1-3H3,(H2,20,21,23)
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| InChIKey |
KOBGHKYLTVSLKX-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