General Information of the Compound
| Compound ID |
CP0508856
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| Compound Name |
3-Fluoro-N-[3-nitro-5-(pyridin-2-ylsulfanyl)-phenyl]-benzamide
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| Structure |
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| Formula |
C18H12FN3O3S
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| Molecular Weight |
369.377
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| Canonical SMILES |
[O-][N+](=O)c1cc(NC(=O)c2cccc(F)c2)cc(Sc2ccccn2)c1
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| InChI |
InChI=1S/C18H12FN3O3S/c19-13-5-3-4-12(8-13)18(23)21-14-9-15(22(24)25)11-16(10-14)26-17-6-1-2-7-20-17/h1-11H,(H,21,23)
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| InChIKey |
YUABJWJOGRBOLS-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