General Information of the Compound
| Compound ID |
CP0870728
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| Compound Name |
1-(3-(6,7-Dimethoxyquinazolin-4-yloxy)phenyl)-3-(5-methylisoxazol-3-yl)urea
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| Structure |
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| Formula |
C21H19N5O5
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| Molecular Weight |
421.413
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| Canonical SMILES |
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C)on4)c3)c2cc1OC
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| InChI |
InChI=1S/C21H19N5O5/c1-12-7-19(26-31-12)25-21(27)24-13-5-4-6-14(8-13)30-20-15-9-17(28-2)18(29-3)10-16(15)22-11-23-20/h4-11H,1-3H3,(H2,24,25,26,27)
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| InChIKey |
SFVQKUIJLYJJCY-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