General Information of the Compound
| Compound ID |
CP0543509
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| Compound Name |
N-[3-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl]-4-(pyrimidin-4-ylamino)benzamide
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| Structure |
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| Formula |
C20H12F4N6OS
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| Molecular Weight |
460.416
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| Canonical SMILES |
Fc1cc(ccc1C(F)(F)F)-c1nsc(NC(=O)c2ccc(Nc3ccncn3)cc2)n1
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| InChI |
InChI=1S/C20H12F4N6OS/c21-15-9-12(3-6-14(15)20(22,23)24)17-28-19(32-30-17)29-18(31)11-1-4-13(5-2-11)27-16-7-8-25-10-26-16/h1-10H,(H,25,26,27)(H,28,29,30,31)
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| InChIKey |
BOGKRTJBBZLNHZ-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