General Information of the Compound
| Compound ID |
CP0520322
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| Compound Name |
6-(5-Bromo-2-ethoxy-phenyl)-N*4*-(4-dihydroxyboron-phenyl)-pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C18H18BBrN4O3
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| Molecular Weight |
429.083
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| Canonical SMILES |
CCOc1ccc(Br)cc1-c1cc(Nc2ccc(cc2)B(O)O)nc(N)n1
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| InChI |
InChI=1S/C18H18BBrN4O3/c1-2-27-16-8-5-12(20)9-14(16)15-10-17(24-18(21)23-15)22-13-6-3-11(4-7-13)19(25)26/h3-10,25-26H,2H2,1H3,(H3,21,22,23,24)
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| InChIKey |
WHSLPOPSIWHYPQ-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