General Information of the Compound
| Compound ID |
CP0542800
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| Compound Name |
1-[4-[2-[(7-ethoxy-6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C27H25F4N5O3
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| Molecular Weight |
543.521
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| Canonical SMILES |
CCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4cc(ccc4OC)C(F)(F)F)cc3)c2cc1F
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| InChI |
InChI=1S/C27H25F4N5O3/c1-3-39-24-14-21-19(13-20(24)28)25(34-15-33-21)32-11-10-16-4-7-18(8-5-16)35-26(37)36-22-12-17(27(29,30)31)6-9-23(22)38-2/h4-9,12-15H,3,10-11H2,1-2H3,(H,32,33,34)(H2,35,36,37)
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| InChIKey |
DZAPMAGSEHVBQI-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: PT01223, Aurora kinase B
Protein ID: PT00934, High affinity nerve growth factor receptor