General Information of the Compound
| Compound ID |
CP0421953
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| Compound Name |
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-fluoro-4-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]urea
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| Formula |
C31H36FN5O6
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| Molecular Weight |
593.656
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| Canonical SMILES |
COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C)cc3F)c2cc1OCCCN1CCOCC1
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| InChI |
InChI=1S/C31H36FN5O6/c1-31(2,3)28-19-29(36-43-28)35-30(38)34-20-6-7-25(22(32)16-20)42-24-8-9-33-23-18-26(39-4)27(17-21(23)24)41-13-5-10-37-11-14-40-15-12-37/h6-9,16-19H,5,10-15H2,1-4H3,(H2,34,35,36,38)
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| InChIKey |
IRSGDZDZHBYGFK-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