General Information of the Compound
| Compound ID |
CP0756301
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| Compound Name |
N*4*-(3-Bromo-phenyl)-N*7*-ethyl-8-fluoro-benzo[4,5]thieno[3,2-d]pyrimidine-4,7-diamine; compound with ethanol
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| Structure |
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| Formula |
C20H20BrFN4OS
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| Molecular Weight |
463.376
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| Canonical SMILES |
CCNc1cc2sc3c(Nc4cccc(Br)c4)ncnc3c2cc1F.CCO
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| InChI |
InChI=1S/C18H14BrFN4S.C2H6O/c1-2-21-14-8-15-12(7-13(14)20)16-17(25-15)18(23-9-22-16)24-11-5-3-4-10(19)6-11;1-2-3/h3-9,21H,2H2,1H3,(H,22,23,24);3H,2H2,1H3
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| InChIKey |
RBRCYNOKJULJMW-UHFFFAOYSA-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