General Information of the Compound
| Compound ID |
CP0952931
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| Compound Name |
3-[3-(dimethylsulfamoyl)phenyl]-N-[2-[(1,1-dioxothian-4-yl)-methyl-amino]-2-oxo-ethyl]prop-2-enamide
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| Structure |
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| Formula |
C19H27N3O6S2
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| Molecular Weight |
457.574
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| Canonical SMILES |
CN(C(=O)CNC(=O)/C=C/c1cccc(S(=O)(=O)N(C)C)c1)C1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C19H27N3O6S2/c1-21(2)30(27,28)17-6-4-5-15(13-17)7-8-18(23)20-14-19(24)22(3)16-9-11-29(25,26)12-10-16/h4-8,13,16H,9-12,14H2,1-3H3,(H,20,23)/b8-7+
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| InChIKey |
CBDKUIMXHXNEFQ-BQYQJAHWSA-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