General Information of the Compound
| Compound ID |
CP0570196
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| Compound Name |
1-[3-[2-[(5-thiophen-3-ylpyridin-2-yl)amino]-4-[3-(trifluoromethyl)anilino]pyrimidin-5-yl]phenyl]ethanone
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| Structure |
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| Formula |
C28H20F3N5OS
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| Molecular Weight |
531.563
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| Canonical SMILES |
CC(=O)c1cccc(c1)-c1cnc(Nc2ccc(cn2)-c2ccsc2)nc1Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C28H20F3N5OS/c1-17(37)18-4-2-5-19(12-18)24-15-33-27(35-25-9-8-20(14-32-25)21-10-11-38-16-21)36-26(24)34-23-7-3-6-22(13-23)28(29,30)31/h2-16H,1H3,(H2,32,33,34,35,36)
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| InChIKey |
ZMOZEVVIADAAHC-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