General Information of the Compound
| Compound ID |
CP0456694
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| Compound Name |
N-[3-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]-4-(pyrimidin-4-ylamino)benzamide
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| Structure |
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| Formula |
C20H12F4N6O2S
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| Molecular Weight |
476.415
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| Canonical SMILES |
Fc1c(OC(F)(F)F)cccc1-c1nsc(NC(=O)c2ccc(Nc3ccncn3)cc2)n1
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| InChI |
InChI=1S/C20H12F4N6O2S/c21-16-13(2-1-3-14(16)32-20(22,23)24)17-28-19(33-30-17)29-18(31)11-4-6-12(7-5-11)27-15-8-9-25-10-26-15/h1-10H,(H,25,26,27)(H,28,29,30,31)
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| InChIKey |
AXACYIIAVAFEDG-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