General Information of the Compound
| Compound ID |
CP0878735
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| Compound Name |
5-(5-(2-(2-aminopyrimidin-5-yl)ethoxy)-2-bromo-4-hydroxybenzylidene)-3-methylthiazolidine-2,4-dione
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| Structure |
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| Formula |
C17H15BrN4O4S
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| Molecular Weight |
451.302
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| Canonical SMILES |
CN1C(=O)S/C(=C\c2cc(OCCc3cnc(N)nc3)c(O)cc2Br)C1=O
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| InChI |
InChI=1S/C17H15BrN4O4S/c1-22-15(24)14(27-17(22)25)5-10-4-13(12(23)6-11(10)18)26-3-2-9-7-20-16(19)21-8-9/h4-8,23H,2-3H2,1H3,(H2,19,20,21)/b14-5-
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| InChIKey |
QBQIBONGYOABKV-RZNTYIFUSA-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