General Information of the Compound
| Compound ID |
CP0548441
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| Compound Name |
1-[4-[2-[(6-ethoxy-7-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-3-phenylurea
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| Structure |
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| Formula |
C25H24FN5O2
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| Molecular Weight |
445.498
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| Canonical SMILES |
CCOc1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2cc1F
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| InChI |
InChI=1S/C25H24FN5O2/c1-2-33-23-14-20-22(15-21(23)26)28-16-29-24(20)27-13-12-17-8-10-19(11-9-17)31-25(32)30-18-6-4-3-5-7-18/h3-11,14-16H,2,12-13H2,1H3,(H,27,28,29)(H2,30,31,32)
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| InChIKey |
XUPDHLLJHKURRW-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