General Information of the Compound
| Compound ID |
CP0340798
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| Compound Name |
3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide
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| Structure |
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| Formula |
C14H7ClF4N4O2S
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| Molecular Weight |
406.748
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| Canonical SMILES |
Cc1onc(c1C(=O)Nc1nnc(s1)C(F)(F)F)-c1c(F)cccc1Cl
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| InChI |
InChI=1S/C14H7ClF4N4O2S/c1-5-8(10(23-25-5)9-6(15)3-2-4-7(9)16)11(24)20-13-22-21-12(26-13)14(17,18)19/h2-4H,1H3,(H,20,22,24)
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| InChIKey |
HYWUHVSQTNXIMZ-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3