General Information of the Compound
| Compound ID |
CP0887784
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| Compound Name |
N-[2-[[2-[(1,1-dioxothian-4-yl)-methyl-amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]benzamide
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| Structure |
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| Formula |
C17H23N3O5S
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| Molecular Weight |
381.454
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| Canonical SMILES |
CN(C(=O)CNC(=O)CNC(=O)c1ccccc1)C1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C17H23N3O5S/c1-20(14-7-9-26(24,25)10-8-14)16(22)12-18-15(21)11-19-17(23)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,18,21)(H,19,23)
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| InChIKey |
ALQMCBWXSSJZAS-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