General Information of the Compound
| Compound ID |
CP0451681
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| Compound Name |
5-(4-fluorophenyl)-2-(2-methoxyphenyl)-2-methyl-3-[(2,4,6-trifluorophenyl)carbonyl]-2,3-dihydro-1,3,4-thiadiazole
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| Structure |
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| Formula |
C23H16F4N2O2S
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| Molecular Weight |
460.452
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| Canonical SMILES |
COc1ccccc1C1(C)SC(=NN1C(=O)c1c(F)cc(F)cc1F)c1ccc(F)cc1
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| InChI |
InChI=1S/C23H16F4N2O2S/c1-23(16-5-3-4-6-19(16)31-2)29(22(30)20-17(26)11-15(25)12-18(20)27)28-21(32-23)13-7-9-14(24)10-8-13/h3-12H,1-2H3
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| InChIKey |
QXTOGDQRXCPBNC-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