General Information of the Compound
| Compound ID |
CP0579188
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| Compound Name |
5-pyridin-4-yl-2-N-(5-thiophen-3-ylpyridin-2-yl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C25H17F3N6S
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| Molecular Weight |
490.514
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| Canonical SMILES |
FC(F)(F)c1cccc(Nc2nc(Nc3ccc(cn3)-c3ccsc3)ncc2-c2ccncc2)c1
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| InChI |
InChI=1S/C25H17F3N6S/c26-25(27,28)19-2-1-3-20(12-19)32-23-21(16-6-9-29-10-7-16)14-31-24(34-23)33-22-5-4-17(13-30-22)18-8-11-35-15-18/h1-15H,(H2,30,31,32,33,34)
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| InChIKey |
QHTQRAWEYOBHEQ-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