General Information of the Compound
| Compound ID |
CP0461131
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| Compound Name |
N-[4-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-(pyrimidin-4-ylamino)benzamide
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| Structure |
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| Formula |
C21H12Cl2F3N5OS
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| Molecular Weight |
510.328
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| Canonical SMILES |
FC(F)(F)c1cc(Cl)c(-c2csc(NC(=O)c3ccc(Nc4ccncn4)cc3)n2)c(Cl)c1
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| InChI |
InChI=1S/C21H12Cl2F3N5OS/c22-14-7-12(21(24,25)26)8-15(23)18(14)16-9-33-20(30-16)31-19(32)11-1-3-13(4-2-11)29-17-5-6-27-10-28-17/h1-10H,(H,27,28,29)(H,30,31,32)
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| InChIKey |
SOVFBPQLCBEYEO-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