General Information of the Compound
| Compound ID |
CP0526561
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| Compound Name |
1-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
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| Structure |
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| Formula |
C23H20F3N3O2
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| Molecular Weight |
427.426
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| Canonical SMILES |
FC(F)(F)Oc1ccc(NC(=O)Nc2ccccc2N2CCCc3ccccc23)cc1
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| InChI |
InChI=1S/C23H20F3N3O2/c24-23(25,26)31-18-13-11-17(12-14-18)27-22(30)28-19-8-2-4-10-21(19)29-15-5-7-16-6-1-3-9-20(16)29/h1-4,6,8-14H,5,7,15H2,(H2,27,28,30)
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| InChIKey |
BLHBKMAJQLLUEL-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