General Information of the Compound
| Compound ID |
CP0455026
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| Compound Name |
1-(5-tert- butylisoxdazol- 3-yl)- 3-(3-(6,7- dimethoxy- quinazolin- 4-yloxy)-2- methylphenyl) urea
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| Structure |
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| Formula |
C25H27N5O5
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| Molecular Weight |
477.521
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| Canonical SMILES |
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3C)c2cc1OC
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| InChI |
InChI=1S/C25H27N5O5/c1-14-16(28-24(31)29-22-12-21(35-30-22)25(2,3)4)8-7-9-18(14)34-23-15-10-19(32-5)20(33-6)11-17(15)26-13-27-23/h7-13H,1-6H3,(H2,28,29,30,31)
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| InChIKey |
QLLMCJODYDQMKE-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