General Information of the Compound
| Compound ID |
CP0534557
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| Compound Name |
N-(3-chloro-4-fluorophenyl)-5-propan-2-yl-1,2-oxazole-3-carbothioamide
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| Structure |
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| Formula |
C13H12ClFN2OS
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| Molecular Weight |
298.77
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| Canonical SMILES |
CC(C)c1cc(no1)C(=S)Nc1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C13H12ClFN2OS/c1-7(2)12-6-11(17-18-12)13(19)16-8-3-4-10(15)9(14)5-8/h3-7H,1-2H3,(H,16,19)
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| InChIKey |
UHYGCDCXXLBVCN-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