General Information of the Compound
| Compound ID |
CP0418447
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| Compound Name |
3-[(4-fluoroanilino)methyl]-5-quinolin-2-yl-1,3,4-oxadiazole-2-thione
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| Structure |
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| Formula |
C18H13FN4OS
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| Molecular Weight |
352.394
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| Canonical SMILES |
Fc1ccc(NCn2nc(oc2=S)-c2ccc3ccccc3n2)cc1
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| InChI |
InChI=1S/C18H13FN4OS/c19-13-6-8-14(9-7-13)20-11-23-18(25)24-17(22-23)16-10-5-12-3-1-2-4-15(12)21-16/h1-10,20H,11H2
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| InChIKey |
LLEBEPFYXKHPCC-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