General Information of the Compound
| Compound ID |
CP0577934
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| Compound Name |
1-(4-bromophenyl)-3-(8-hydroxy-1,1-dioxo-3,4-dihydro-2H-thiochromen-7-yl)urea
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| Structure |
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| Formula |
C16H15BrN2O4S
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| Molecular Weight |
411.277
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| Canonical SMILES |
Oc1c(NC(=O)Nc2ccc(Br)cc2)ccc2CCCS(=O)(=O)c12
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| InChI |
InChI=1S/C16H15BrN2O4S/c17-11-4-6-12(7-5-11)18-16(21)19-13-8-3-10-2-1-9-24(22,23)15(10)14(13)20/h3-8,20H,1-2,9H2,(H2,18,19,21)
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| InChIKey |
IOXQOOHFINBYAD-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