General Information of the Compound
| Compound ID |
CP0859700
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| Compound Name |
5-(5-(1-(2-aminopyrimidin-5-yl)ethoxy)-2-bromo-3-fluoro-4-hydroxybenzylidene)-3-methylthiazolidine-2,4-dione
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| Structure |
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| Formula |
C17H14BrFN4O4S
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| Molecular Weight |
469.292
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| Canonical SMILES |
CC(Oc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)c(F)c1O)c1cnc(N)nc1
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| InChI |
InChI=1S/C17H14BrFN4O4S/c1-7(9-5-21-16(20)22-6-9)27-10-3-8(12(18)13(19)14(10)24)4-11-15(25)23(2)17(26)28-11/h3-7,24H,1-2H3,(H2,20,21,22)/b11-4-
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| InChIKey |
KUXDEBTVSHJYQF-WCIBSUBMSA-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