General Information of the Compound
| Compound ID |
CP0576797
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| Compound Name |
1-(3-chloro-2-methylphenyl)-3-(8-hydroxy-1,1-dioxo-3,4-dihydro-2H-thiochromen-7-yl)urea
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| Structure |
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| Formula |
C17H17ClN2O4S
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| Molecular Weight |
380.853
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| Canonical SMILES |
Cc1c(Cl)cccc1NC(=O)Nc1ccc2CCCS(=O)(=O)c2c1O
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| InChI |
InChI=1S/C17H17ClN2O4S/c1-10-12(18)5-2-6-13(10)19-17(22)20-14-8-7-11-4-3-9-25(23,24)16(11)15(14)21/h2,5-8,21H,3-4,9H2,1H3,(H2,19,20,22)
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| InChIKey |
CVNMVNLWLGAXGH-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