General Information of the Compound
| Compound ID |
CP0461139
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| Compound Name |
N-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-(pyrimidin-4-ylamino)benzamide
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| Structure |
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| Formula |
C21H13F4N5OS
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| Molecular Weight |
459.428
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| Canonical SMILES |
Fc1ccc(cc1C(F)(F)F)-c1cnc(NC(=O)c2ccc(Nc3ccncn3)cc2)s1
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| InChI |
InChI=1S/C21H13F4N5OS/c22-16-6-3-13(9-15(16)21(23,24)25)17-10-27-20(32-17)30-19(31)12-1-4-14(5-2-12)29-18-7-8-26-11-28-18/h1-11H,(H,26,28,29)(H,27,30,31)
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| InChIKey |
AUWGQQMMXDGRMZ-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