General Information of the Compound
| Compound ID |
CP0495558
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| Compound Name |
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[7-(cyclopentylmethoxy)-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]urea
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| Formula |
C30H33FN4O5
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| Molecular Weight |
548.615
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| Canonical SMILES |
COc1cc2c(Oc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C)cc3F)ccnc2cc1OCC1CCCC1
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| InChI |
InChI=1S/C30H33FN4O5/c1-30(2,3)27-16-28(35-40-27)34-29(36)33-19-9-10-24(21(31)13-19)39-23-11-12-32-22-15-26(25(37-4)14-20(22)23)38-17-18-7-5-6-8-18/h9-16,18H,5-8,17H2,1-4H3,(H2,33,34,35,36)
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| InChIKey |
GNTWTJDFEZEVNN-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