General Information of the Compound
| Compound ID |
CP0454234
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| Compound Name |
3-[(3-chlorophenyl)carbonyl]-2-(2,3-dimethoxyphenyl)-5-(4-fluorophenyl)-2,3-dihydro-1,3,4-thiadiazole
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| Structure |
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| Formula |
C23H18ClFN2O3S
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| Molecular Weight |
456.926
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| Canonical SMILES |
COc1cccc(C2SC(=NN2C(=O)c2cccc(Cl)c2)c2ccc(F)cc2)c1OC
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| InChI |
InChI=1S/C23H18ClFN2O3S/c1-29-19-8-4-7-18(20(19)30-2)23-27(22(28)15-5-3-6-16(24)13-15)26-21(31-23)14-9-11-17(25)12-10-14/h3-13,23H,1-2H3
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| InChIKey |
KDDWANWSZBFGNC-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