General Information of the Compound
| Compound ID |
CP0538953
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| Compound Name |
2-[[2-(3,5-difluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine
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| Structure |
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| Formula |
C16H15F2N5S2
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| Molecular Weight |
379.461
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| Canonical SMILES |
CCc1sc(nc1CSc1nc(N)cc(N)n1)-c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C16H15F2N5S2/c1-2-12-11(7-24-16-22-13(19)6-14(20)23-16)21-15(25-12)8-3-9(17)5-10(18)4-8/h3-6H,2,7H2,1H3,(H4,19,20,22,23)
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| InChIKey |
HGTYIESKNDANJV-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
Protein ID: PT01831, Deoxycytidine kinase
Protein ID: PT06167, Deoxycytidine kinase