General Information of the Compound
| Compound ID |
CP0542326
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| Compound Name |
1-(2,4-dichlorophenyl)-3-(8-hydroxy-1,1-dioxo-3,4-dihydro-2H-thiochromen-7-yl)urea
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| Structure |
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| Formula |
C16H14Cl2N2O4S
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| Molecular Weight |
401.271
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| Canonical SMILES |
Oc1c(NC(=O)Nc2ccc(Cl)cc2Cl)ccc2CCCS(=O)(=O)c12
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| InChI |
InChI=1S/C16H14Cl2N2O4S/c17-10-4-6-12(11(18)8-10)19-16(22)20-13-5-3-9-2-1-7-25(23,24)15(9)14(13)21/h3-6,8,21H,1-2,7H2,(H2,19,20,22)
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| InChIKey |
NCNRPELCXINKDJ-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