General Information of the Compound
| Compound ID |
CP0203339
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| Compound Name |
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(furan-2-yl)-4-(4-phenylmethoxyphenyl)-1,2,4-triazole
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| Structure |
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| Formula |
C26H19ClFN3O2S
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| Molecular Weight |
491.975
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| Canonical SMILES |
Fc1cccc(Cl)c1CSc1nnc(-c2ccco2)n1-c1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C26H19ClFN3O2S/c27-22-8-4-9-23(28)21(22)17-34-26-30-29-25(24-10-5-15-32-24)31(26)19-11-13-20(14-12-19)33-16-18-6-2-1-3-7-18/h1-15H,16-17H2
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| InChIKey |
NASSVQVVJPJVJF-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