General Information of the Compound
| Compound ID |
CP0444233
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| Compound Name |
5-[5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
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| Structure |
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| Formula |
C20H17N3O2S
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| Molecular Weight |
363.442
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| Canonical SMILES |
Cc1ccc(CSCc2ccc(o2)-c2nc(no2)-c2ccccn2)cc1
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| InChI |
InChI=1S/C20H17N3O2S/c1-14-5-7-15(8-6-14)12-26-13-16-9-10-18(24-16)20-22-19(23-25-20)17-4-2-3-11-21-17/h2-11H,12-13H2,1H3
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| InChIKey |
CFNJKHLTWHEJMG-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