General Information of the Compound
| Compound ID |
CP0547951
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| Compound Name |
N-(3-(4-amino-6-((4-phenoxyphenyl)amino)pyrimidin-5-yl)phenyl)acrylamide
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| Structure |
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| Formula |
C25H21N5O2
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| Molecular Weight |
423.476
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| Canonical SMILES |
Nc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1-c1cccc(NC(=O)C=C)c1
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| InChI |
InChI=1S/C25H21N5O2/c1-2-22(31)29-19-8-6-7-17(15-19)23-24(26)27-16-28-25(23)30-18-11-13-21(14-12-18)32-20-9-4-3-5-10-20/h2-16H,1H2,(H,29,31)(H3,26,27,28,30)
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| InChIKey |
YZBXYPYYWUFAEL-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