General Information of the Compound
| Compound ID |
CP0457919
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| Compound Name |
4-(pyrimidin-4-ylamino)-N-(3-(3-(trifluoromethoxy)phenyl)-1,2,4-thiadiazol-5-yl)benzamide
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| Structure |
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| Formula |
C20H13F3N6O2S
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| Molecular Weight |
458.425
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| Canonical SMILES |
FC(F)(F)Oc1cccc(c1)-c1nsc(NC(=O)c2ccc(Nc3ccncn3)cc2)n1
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| InChI |
InChI=1S/C20H13F3N6O2S/c21-20(22,23)31-15-3-1-2-13(10-15)17-27-19(32-29-17)28-18(30)12-4-6-14(7-5-12)26-16-8-9-24-11-25-16/h1-11H,(H,24,25,26)(H,27,28,29,30)
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| InChIKey |
QETJBSDRXDEQFJ-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