General Information of the Compound
| Compound ID |
CP0494138
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| Compound Name |
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C24H20F3N5O2
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| Molecular Weight |
467.451
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| Canonical SMILES |
CN(C)c1ccc2c(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)ncnc2c1
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| InChI |
InChI=1S/C24H20F3N5O2/c1-32(2)18-8-11-20-21(13-18)28-14-29-22(20)34-19-9-6-16(7-10-19)30-23(33)31-17-5-3-4-15(12-17)24(25,26)27/h3-14H,1-2H3,(H2,30,31,33)
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| InChIKey |
AYPSNMAIUMVVLO-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