General Information of the Compound
| Compound ID |
CP0576816
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| Compound Name |
5-(4-chlorophenyl)-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 |
C26H17ClF3N5S
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| Molecular Weight |
523.971
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| Canonical SMILES |
FC(F)(F)c1cccc(Nc2nc(Nc3ccc(cn3)-c3ccsc3)ncc2-c2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C26H17ClF3N5S/c27-20-7-4-16(5-8-20)22-14-32-25(34-23-9-6-17(13-31-23)18-10-11-36-15-18)35-24(22)33-21-3-1-2-19(12-21)26(28,29)30/h1-15H,(H2,31,32,33,34,35)
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| InChIKey |
VLLIRJGICJWIFU-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