General Information of the Compound
| Compound ID |
CP0880592
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| Compound Name |
2-(5-(1-(2-aminopyrimidin-5-yl)ethoxy)-2-bromo-3-fluoro-4-hydroxybenzylidene)imidazo[2,1-b]thiazol-3(2H)-one
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| Structure |
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| Formula |
C18H13BrFN5O3S
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| Molecular Weight |
478.303
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| Canonical SMILES |
CC(Oc1cc(/C=c2\sc3nccn3c2=O)c(Br)c(F)c1O)c1cnc(N)nc1
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| InChI |
InChI=1S/C18H13BrFN5O3S/c1-8(10-6-23-17(21)24-7-10)28-11-4-9(13(19)14(20)15(11)26)5-12-16(27)25-3-2-22-18(25)29-12/h2-8,26H,1H3,(H2,21,23,24)/b12-5-
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| InChIKey |
HWOHITMJQVEGRI-XGICHPGQSA-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