General Information of the Compound
| Compound ID |
CP0457730
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| Compound Name |
N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-[methyl(pyrimidin-4-yl)amino]benzamide
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| Structure |
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| Formula |
C22H15F4N5OS
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| Molecular Weight |
473.455
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| Canonical SMILES |
CN(c1ccc(cc1)C(=O)Nc1nc(cs1)-c1cccc(c1F)C(F)(F)F)c1ccncn1
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| InChI |
InChI=1S/C22H15F4N5OS/c1-31(18-9-10-27-12-28-18)14-7-5-13(6-8-14)20(32)30-21-29-17(11-33-21)15-3-2-4-16(19(15)23)22(24,25)26/h2-12H,1H3,(H,29,30,32)
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| InChIKey |
NNDLJSHLMCNGDK-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