General Information of the Compound
| Compound ID |
CP0470533
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| Compound Name |
(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)- 3-(5- phenylisoxazol- 3-yl) urea
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| Structure |
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| Formula |
C26H21N5O5
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| Molecular Weight |
483.484
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| Canonical SMILES |
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)-c4ccccc4)c3)c2cc1OC
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| InChI |
InChI=1S/C26H21N5O5/c1-33-22-12-19-20(13-23(22)34-2)27-15-28-25(19)35-18-10-6-9-17(11-18)29-26(32)30-24-14-21(36-31-24)16-7-4-3-5-8-16/h3-15H,1-2H3,(H2,29,30,31,32)
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| InChIKey |
LAMMEOXIKPNJPT-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