General Information of the Compound
| Compound ID |
CP0565352
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| Compound Name |
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
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| Structure |
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| Formula |
C25H22F3N5O2
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| Molecular Weight |
481.478
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| Canonical SMILES |
CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4ccc(cc4)C(F)(F)F)cc3)ncnc2c1
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| InChI |
InChI=1S/C25H22F3N5O2/c1-33(2)19-9-12-21-22(13-19)30-15-31-23(21)35-20-10-7-18(8-11-20)32-24(34)29-14-16-3-5-17(6-4-16)25(26,27)28/h3-13,15H,14H2,1-2H3,(H2,29,32,34)
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| InChIKey |
RGUIKCSKPKYQQL-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