General Information of the Compound
| Compound ID |
CP0495301
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| Compound Name |
1-(8-hydroxy-1,1-dioxo-2H-thiochromen-7-yl)-3-[2-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C17H13F3N2O4S
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| Molecular Weight |
398.362
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| Canonical SMILES |
Oc1c(NC(=O)Nc2ccccc2C(F)(F)F)ccc2C=CCS(=O)(=O)c12
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| InChI |
InChI=1S/C17H13F3N2O4S/c18-17(19,20)11-5-1-2-6-12(11)21-16(24)22-13-8-7-10-4-3-9-27(25,26)15(10)14(13)23/h1-8,23H,9H2,(H2,21,22,24)
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| InChIKey |
QJCNQLPVMZYAPK-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