General Information of the Compound
| Compound ID |
CP0557124
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| Compound Name |
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-fluoro-4-[6-methoxy-7-(oxiran-2-ylmethoxy)quinolin-4-yl]oxyphenyl]urea
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| Formula |
C27H27FN4O6
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| Molecular Weight |
522.533
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| Canonical SMILES |
COc1cc2c(Oc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C)cc3F)ccnc2cc1OCC1CO1
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| InChI |
InChI=1S/C27H27FN4O6/c1-27(2,3)24-12-25(32-38-24)31-26(33)30-15-5-6-21(18(28)9-15)37-20-7-8-29-19-11-23(36-14-16-13-35-16)22(34-4)10-17(19)20/h5-12,16H,13-14H2,1-4H3,(H2,30,31,32,33)
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| InChIKey |
SVWUGFHUDAOTST-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