General Information of the Compound
| Compound ID |
CP0916822
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| Compound Name |
1-{4-[2-Amino-6-(5-bromo-2-ethoxy-phenyl)-pyrimidin-4-ylamino]-phenyl}-ethanone oxime
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| Structure |
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| Formula |
C20H20BrN5O2
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| Molecular Weight |
442.317
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| Canonical SMILES |
CCOc1ccc(Br)cc1-c1cc(Nc2ccc(/C(C)=N\O)cc2)nc(N)n1
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| InChI |
InChI=1S/C20H20BrN5O2/c1-3-28-18-9-6-14(21)10-16(18)17-11-19(25-20(22)24-17)23-15-7-4-13(5-8-15)12(2)26-27/h4-11,27H,3H2,1-2H3,(H3,22,23,24,25)/b26-12-
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| InChIKey |
HRMBQEZPSJIQBQ-ZRGSRPPYSA-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