General Information of the Compound
| Compound ID |
CP0499363
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| Compound Name |
1-(4-chloro-3- (trifluoromethyl) phenyl)- 3-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl) urea
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| Structure |
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| Formula |
C24H18ClF3N4O4
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| Molecular Weight |
518.879
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| Canonical SMILES |
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)c3)c2cc1OC
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| InChI |
InChI=1S/C24H18ClF3N4O4/c1-34-20-10-16-19(11-21(20)35-2)29-12-30-22(16)36-15-5-3-4-13(8-15)31-23(33)32-14-6-7-18(25)17(9-14)24(26,27)28/h3-12H,1-2H3,(H2,31,32,33)
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| InChIKey |
LFWLHYKPWIJSBE-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