General Information of the Compound
| Compound ID |
CP0548486
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| Compound Name |
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-[(7-ethoxy-6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]urea
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| Structure |
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| Formula |
C26H22ClF4N5O2
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| Molecular Weight |
547.94
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| Canonical SMILES |
CCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)cc3)c2cc1F
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| InChI |
InChI=1S/C26H22ClF4N5O2/c1-2-38-23-13-22-18(12-21(23)28)24(34-14-33-22)32-10-9-15-3-5-16(6-4-15)35-25(37)36-17-7-8-20(27)19(11-17)26(29,30)31/h3-8,11-14H,2,9-10H2,1H3,(H,32,33,34)(H2,35,36,37)
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| InChIKey |
GJCBHWYCVRSEFM-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