General Information of the Compound
| Compound ID |
CP0849725
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| Compound Name |
2-(2-bromo-5-((2-chloropyrimidin-5-yl)methoxy)-4-hydroxybenzylidene)thieno[2,3-b]pyridin-3(2H)-one
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| Structure |
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| Formula |
C19H11BrClN3O3S
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| Molecular Weight |
476.739
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| Canonical SMILES |
O=C1/C(=C/c2cc(OCc3cnc(Cl)nc3)c(O)cc2Br)Sc2ncccc21
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| InChI |
InChI=1S/C19H11BrClN3O3S/c20-13-6-14(25)15(27-9-10-7-23-19(21)24-8-10)4-11(13)5-16-17(26)12-2-1-3-22-18(12)28-16/h1-8,25H,9H2/b16-5-
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| InChIKey |
FNZNHLMLKNFADB-BNCCVWRVSA-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