General Information of the Compound
| Compound ID |
CP0521802
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| Compound Name |
1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-ethoxy-7- methoxy- quinazolin- 4-yloxy)phenyl) 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 |
CCOc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OC
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| InChI |
InChI=1S/C25H27N5O5/c1-6-33-20-11-17-18(12-19(20)32-5)26-14-27-23(17)34-16-9-7-8-15(10-16)28-24(31)29-22-13-21(35-30-22)25(2,3)4/h7-14H,6H2,1-5H3,(H2,28,29,30,31)
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| InChIKey |
AKMAIIKLSOGYGK-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