General Information of the Compound
| Compound ID |
CP0516977
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| Compound Name |
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-fluoro-4-[6-methoxy-7-(2-methylpropoxy)quinolin-4-yl]oxyphenyl]urea
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| Formula |
C28H31FN4O5
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| Molecular Weight |
522.577
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| Canonical SMILES |
COc1cc2c(Oc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C)cc3F)ccnc2cc1OCC(C)C
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| InChI |
InChI=1S/C28H31FN4O5/c1-16(2)15-36-24-13-20-18(12-23(24)35-6)21(9-10-30-20)37-22-8-7-17(11-19(22)29)31-27(34)32-26-14-25(38-33-26)28(3,4)5/h7-14,16H,15H2,1-6H3,(H2,31,32,33,34)
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| InChIKey |
FRBWWFCMPFPUEW-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