General Information of the Compound
| Compound ID |
CP0576984
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| Compound Name |
5-chloro-2-N-(5-thiophen-3-ylpyridin-2-yl)-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C21H15ClF3N5S
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| Molecular Weight |
461.9
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| Canonical SMILES |
FC(F)(F)c1ccc(CNc2nc(Nc3ccc(cn3)-c3ccsc3)ncc2Cl)cc1
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| InChI |
InChI=1S/C21H15ClF3N5S/c22-17-11-28-20(29-18-6-3-14(10-26-18)15-7-8-31-12-15)30-19(17)27-9-13-1-4-16(5-2-13)21(23,24)25/h1-8,10-12H,9H2,(H2,26,27,28,29,30)
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| InChIKey |
RWYLAESYOQQVDV-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