General Information of the Compound
| Compound ID |
CP0456708
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| Compound Name |
N-[4-[2,3-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-(pyrimidin-4-ylamino)benzamide
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| Structure |
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| Formula |
C21H12F5N5OS
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| Molecular Weight |
477.418
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| Canonical SMILES |
Fc1c(F)c(ccc1-c1csc(NC(=O)c2ccc(Nc3ccncn3)cc2)n1)C(F)(F)F
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| InChI |
InChI=1S/C21H12F5N5OS/c22-17-13(5-6-14(18(17)23)21(24,25)26)15-9-33-20(30-15)31-19(32)11-1-3-12(4-2-11)29-16-7-8-27-10-28-16/h1-10H,(H,27,28,29)(H,30,31,32)
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| InChIKey |
UUMGJFJGZOIDII-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