General Information of the Compound
| Compound ID |
CP0557122
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| Compound Name |
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-fluoro-4-(7-methoxy-6-propan-2-yloxyquinolin-4-yl)oxyphenyl]urea
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| Formula |
C27H29FN4O5
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| Molecular Weight |
508.55
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| Canonical SMILES |
COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C)cc3F)c2cc1OC(C)C
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| InChI |
InChI=1S/C27H29FN4O5/c1-15(2)35-23-12-17-19(13-22(23)34-6)29-10-9-20(17)36-21-8-7-16(11-18(21)28)30-26(33)31-25-14-24(37-32-25)27(3,4)5/h7-15H,1-6H3,(H2,30,31,32,33)
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| InChIKey |
MJEOPWXGRGGTBA-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