General Information of the Compound
| Compound ID |
CP0859868
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| Compound Name |
2-(5-((2-aminopyrimidin-5-yl)methoxy)-2-bromo-4-hydroxybenzylidene)imidazo[2,1-b]thiazol-3(2H)-one
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| Structure |
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| Formula |
C17H12BrN5O3S
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| Molecular Weight |
446.286
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| Canonical SMILES |
Nc1ncc(COc2cc(/C=c3\sc4nccn4c3=O)c(Br)cc2O)cn1
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| InChI |
InChI=1S/C17H12BrN5O3S/c18-11-5-12(24)13(26-8-9-6-21-16(19)22-7-9)3-10(11)4-14-15(25)23-2-1-20-17(23)27-14/h1-7,24H,8H2,(H2,19,21,22)/b14-4-
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| InChIKey |
QJHWHQBFAVZJSK-CPSFFCFKSA-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