General Information of the Compound
| Compound ID |
CP0387999
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| Compound Name |
1-[2-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
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| Structure |
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| Formula |
C22H19F3N4O3
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| Molecular Weight |
444.413
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| Canonical SMILES |
FC(F)(F)Oc1ccc(NC(=O)Nc2cccnc2Oc2cccc3CNCCc23)cc1
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| InChI |
InChI=1S/C22H19F3N4O3/c23-22(24,25)32-16-8-6-15(7-9-16)28-21(30)29-18-4-2-11-27-20(18)31-19-5-1-3-14-13-26-12-10-17(14)19/h1-9,11,26H,10,12-13H2,(H2,28,29,30)
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| InChIKey |
RGFDGPZOFYWCTE-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