General Information of the Compound
| Compound ID |
CP0904102
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| Compound Name |
3-(3-chlorophenyl)-N-[2-[(1,1-dioxothian-4-yl)-ethyl-amino]-2-oxo-ethyl]prop-2-enamide
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| Structure |
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| Formula |
C18H23ClN2O4S
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| Molecular Weight |
398.912
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| Canonical SMILES |
CCN(C(=O)CNC(=O)/C=C/c1cccc(Cl)c1)C1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C18H23ClN2O4S/c1-2-21(16-8-10-26(24,25)11-9-16)18(23)13-20-17(22)7-6-14-4-3-5-15(19)12-14/h3-7,12,16H,2,8-11,13H2,1H3,(H,20,22)/b7-6+
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| InChIKey |
HHTGRNPXYDYDQW-VOTSOKGWSA-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