General Information of the Compound
| Compound ID |
CP0497044
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| Compound Name |
N-[4-[[4-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]methylamino]-1,2,5-thiadiazol-3-yl]acetamide
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| Structure |
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| Formula |
C20H15ClF2N6O2S
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| Molecular Weight |
476.896
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| Canonical SMILES |
CC(=O)Nc1nsnc1NCc1ccc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1
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| InChI |
InChI=1S/C20H15ClF2N6O2S/c1-9(30)25-20-19(28-32-29-20)24-8-12-4-3-11(5-15(12)22)14-6-13(21)7-16(23)17(14)18-26-10(2)31-27-18/h3-7H,8H2,1-2H3,(H,24,28)(H,25,29,30)
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| InChIKey |
HVMKKCTYPYKBAN-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