General Information of the Compound
| Compound ID |
CP0506474
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| Compound Name |
2-[4-(Chloro-phenyl)carbamoyl-phenyl]-2-oxo-ethyl ethyl trithiocarbonate
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| Structure |
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| Formula |
C18H16ClNO2S3
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| Molecular Weight |
409.985
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| Canonical SMILES |
CCSC(=S)SCC(=O)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1
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| InChI |
InChI=1S/C18H16ClNO2S3/c1-2-24-18(23)25-11-16(21)12-3-5-13(6-4-12)17(22)20-15-9-7-14(19)8-10-15/h3-10H,2,11H2,1H3,(H,20,22)
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| InChIKey |
RHEOWXVRBWQOPC-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