General Information of the Compound
| Compound ID |
CP0578868
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| Compound Name |
1-(3-fluoro-2-methylphenyl)-3-(8-hydroxy-1,1,4-trioxo-2,3-dihydrothiochromen-7-yl)urea
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| Structure |
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| Formula |
C17H15FN2O5S
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| Molecular Weight |
378.381
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| Canonical SMILES |
Cc1c(F)cccc1NC(=O)Nc1ccc2C(=O)CCS(=O)(=O)c2c1O
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| InChI |
InChI=1S/C17H15FN2O5S/c1-9-11(18)3-2-4-12(9)19-17(23)20-13-6-5-10-14(21)7-8-26(24,25)16(10)15(13)22/h2-6,22H,7-8H2,1H3,(H2,19,20,23)
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| InChIKey |
LZWZQKBIBFKIOD-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