General Information of the Compound
| Compound ID |
CP0449123
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| Compound Name |
N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-4-(pyrimidin-4-ylamino)benzamide
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| Structure |
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| Formula |
C21H13F4N5O2S
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| Molecular Weight |
475.427
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| Canonical SMILES |
Fc1c(OC(F)(F)F)cccc1-c1csc(NC(=O)c2ccc(Nc3ccncn3)cc2)n1
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| InChI |
InChI=1S/C21H13F4N5O2S/c22-18-14(2-1-3-16(18)32-21(23,24)25)15-10-33-20(29-15)30-19(31)12-4-6-13(7-5-12)28-17-8-9-26-11-27-17/h1-11H,(H,26,27,28)(H,29,30,31)
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| InChIKey |
OYFQARLFQPKSIY-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