General Information of the Compound
| Compound ID |
CP0557125
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| Compound Name |
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-ethoxy-6-methoxyquinolin-4-yl)oxy-3-fluorophenyl]urea
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| Formula |
C26H27FN4O5
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| Molecular Weight |
494.523
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| Canonical SMILES |
CCOc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C)cc3F)c2cc1OC
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| InChI |
InChI=1S/C26H27FN4O5/c1-6-34-22-13-18-16(12-21(22)33-5)19(9-10-28-18)35-20-8-7-15(11-17(20)27)29-25(32)30-24-14-23(36-31-24)26(2,3)4/h7-14H,6H2,1-5H3,(H2,29,30,31,32)
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| InChIKey |
JMITYJURDIGPPZ-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