General Information of the Compound
| Compound ID |
CP0545535
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| Compound Name |
1-[4-[2-[(7-ethoxy-6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C26H23F4N5O2
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| Molecular Weight |
513.495
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| Canonical SMILES |
CCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c2cc1F
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| InChI |
InChI=1S/C26H23F4N5O2/c1-2-37-23-14-22-20(13-21(23)27)24(33-15-32-22)31-11-10-16-6-8-18(9-7-16)34-25(36)35-19-5-3-4-17(12-19)26(28,29)30/h3-9,12-15H,2,10-11H2,1H3,(H,31,32,33)(H2,34,35,36)
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| InChIKey |
YICDYXUSGXQKLK-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
Protein ID: PT00980, Aurora kinase A
Protein ID: PT00934, High affinity nerve growth factor receptor