General Information of the Compound
| Compound ID |
CP0882338
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| Compound Name |
5-(2-bromo-5-(1-(2-chloropyrimidin-5-yl)ethoxy)-3-fluoro-4-hydroxybenzylidene)-3-methylthiophene-2,4(3H,5H)-dione
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| Structure |
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| Formula |
C18H13BrClFN2O4S
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| Molecular Weight |
487.734
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| Canonical SMILES |
CC1C(=O)S/C(=C\c2cc(OC(C)c3cnc(Cl)nc3)c(O)c(F)c2Br)C1=O
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| InChI |
InChI=1S/C18H13BrClFN2O4S/c1-7-15(24)12(28-17(7)26)4-9-3-11(16(25)14(21)13(9)19)27-8(2)10-5-22-18(20)23-6-10/h3-8,25H,1-2H3/b12-4-
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| InChIKey |
VSKHHYKZPWNVHT-QCDXTXTGSA-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