General Information of the Compound
| Compound ID |
CP0526955
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| Compound Name |
5-(4-chlorophenyl)-2-(3-methoxyphenyl)-3-[(2,4,6-trifluorophenyl)carbonyl]-2,3-dihydro-1,3,4-thiadiazole
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| Structure |
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| Formula |
C22H14ClF3N2O2S
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| Molecular Weight |
462.88
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| Canonical SMILES |
COc1cccc(c1)C1SC(=NN1C(=O)c1c(F)cc(F)cc1F)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H14ClF3N2O2S/c1-30-16-4-2-3-13(9-16)22-28(21(29)19-17(25)10-15(24)11-18(19)26)27-20(31-22)12-5-7-14(23)8-6-12/h2-11,22H,1H3
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| InChIKey |
IJPQKGYDDLFFKO-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