General Information of the Compound
| Compound ID |
CP0849732
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| Compound Name |
5-(5-(1-(2-aminopyrimidin-5-yl)-1-hydroxypropan-2-yloxy)-2-bromo-3-fluoro-4-hydroxybenzylidene)-3-methylthiazolidine-2,4-dione
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| Structure |
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| Formula |
C18H16BrFN4O5S
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| Molecular Weight |
499.318
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| Canonical SMILES |
CC(Oc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)c(F)c1O)C(O)c1cnc(N)nc1
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| InChI |
InChI=1S/C18H16BrFN4O5S/c1-7(14(25)9-5-22-17(21)23-6-9)29-10-3-8(12(19)13(20)15(10)26)4-11-16(27)24(2)18(28)30-11/h3-7,14,25-26H,1-2H3,(H2,21,22,23)/b11-4-
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| InChIKey |
AMFJHDFUEBXNMP-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