General Information of the Compound
| Compound ID |
CP0392228
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| Compound Name |
3-[2-Amino-6-(5-bromo-2-ethoxy-phenyl)-pyrimidin-4-ylamino]-benzonitrile
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| Structure |
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| Formula |
C19H16BrN5O
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| Molecular Weight |
410.275
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| Canonical SMILES |
CCOc1ccc(Br)cc1-c1cc(Nc2cccc(c2)C#N)nc(N)n1
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| InChI |
InChI=1S/C19H16BrN5O/c1-2-26-17-7-6-13(20)9-15(17)16-10-18(25-19(22)24-16)23-14-5-3-4-12(8-14)11-21/h3-10H,2H2,1H3,(H3,22,23,24,25)
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| InChIKey |
YKJMOSUXMJLYRB-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