General Information of the Compound
| Compound ID |
CP0953864
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| Compound Name |
N-[2-[(1,1-dioxothian-4-yl)-methyl-amino]-2-oxo-ethyl]thiophene-3-carboxamide
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| Structure |
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| Formula |
C13H18N2O4S2
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| Molecular Weight |
330.431
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| Canonical SMILES |
CN(C(=O)CNC(=O)c1ccsc1)C1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C13H18N2O4S2/c1-15(11-3-6-21(18,19)7-4-11)12(16)8-14-13(17)10-2-5-20-9-10/h2,5,9,11H,3-4,6-8H2,1H3,(H,14,17)
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| InChIKey |
QCZYUZNIYMQEIC-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