General Information of the Compound
| Compound ID |
CP0495559
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| Compound Name |
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-fluoro-4-[7-methoxy-6-(2-methoxyethoxy)quinolin-4-yl]oxyphenyl]urea
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| Formula |
C27H29FN4O6
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| Molecular Weight |
524.549
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| Canonical SMILES |
COCCOc1cc2c(Oc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C)cc3F)ccnc2cc1OC
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| InChI |
InChI=1S/C27H29FN4O6/c1-27(2,3)24-15-25(32-38-24)31-26(33)30-16-6-7-21(18(28)12-16)37-20-8-9-29-19-14-22(35-5)23(13-17(19)20)36-11-10-34-4/h6-9,12-15H,10-11H2,1-5H3,(H2,30,31,32,33)
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| InChIKey |
GOJFZCQOJWYBJW-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