General Information of the Compound
| Compound ID |
CP0904100
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| Compound Name |
N-[2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-2-oxo-ethyl]-3-(3-nitrophenyl)prop-2-enamide
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| Structure |
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| Formula |
C16H19N3O6S
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| Molecular Weight |
381.41
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| Canonical SMILES |
CN(C(=O)CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CCS(=O)(=O)C1
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| InChI |
InChI=1S/C16H19N3O6S/c1-18(14-7-8-26(24,25)11-14)16(21)10-17-15(20)6-5-12-3-2-4-13(9-12)19(22)23/h2-6,9,14H,7-8,10-11H2,1H3,(H,17,20)/b6-5+
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| InChIKey |
GTEDDTCTGWKBMH-AATRIKPKSA-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