General Information of the Compound
| Compound ID |
CP0518064
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| Compound Name |
5-(3,4-dichlorophenyl)-2-(2,3-dimethoxyphenyl)-3-[(2,4,6-trifluorophenyl)carbonyl]-2,3-dihydro-1,3,4-thiadiazole
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| Structure |
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| Formula |
C23H15Cl2F3N2O3S
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| Molecular Weight |
527.351
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| Canonical SMILES |
COc1cccc(C2SC(=NN2C(=O)c2c(F)cc(F)cc2F)c2ccc(Cl)c(Cl)c2)c1OC
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| InChI |
InChI=1S/C23H15Cl2F3N2O3S/c1-32-18-5-3-4-13(20(18)33-2)23-30(22(31)19-16(27)9-12(26)10-17(19)28)29-21(34-23)11-6-7-14(24)15(25)8-11/h3-10,23H,1-2H3
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| InChIKey |
ISPXLKSACDLINS-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