General Information of the Compound
| Compound ID |
CP0542807
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| Compound Name |
1-(3-chloro-4-fluorophenyl)-3-[4-[2-[(7-ethoxy-6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]urea
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| Structure |
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| Formula |
C25H22ClF2N5O2
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| Molecular Weight |
497.933
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| Canonical SMILES |
CCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)cc3)c2cc1F
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| InChI |
InChI=1S/C25H22ClF2N5O2/c1-2-35-23-13-22-18(12-21(23)28)24(31-14-30-22)29-10-9-15-3-5-16(6-4-15)32-25(34)33-17-7-8-20(27)19(26)11-17/h3-8,11-14H,2,9-10H2,1H3,(H,29,30,31)(H2,32,33,34)
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| InChIKey |
USDUGMLVLKUSBZ-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