General Information of the Compound
| Compound ID |
CP0516150
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| Compound Name |
N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-[[6-[2-hydroxyethyl(methyl)amino]pyrimidin-4-yl]amino]benzamide
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| Structure |
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| Formula |
C24H20F4N6O2S
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| Molecular Weight |
532.523
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| Canonical SMILES |
CN(CCO)c1cc(Nc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2F)C(F)(F)F)ncn1
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| InChI |
InChI=1S/C24H20F4N6O2S/c1-34(9-10-35)20-11-19(29-13-30-20)31-15-7-5-14(6-8-15)22(36)33-23-32-18(12-37-23)16-3-2-4-17(21(16)25)24(26,27)28/h2-8,11-13,35H,9-10H2,1H3,(H,29,30,31)(H,32,33,36)
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| InChIKey |
YKWUFQRWIXUJTF-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