General Information of the Compound
| Compound ID |
CP0509431
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| Compound Name |
1-[2-[(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
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| Structure |
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| Formula |
C24H23F3N4O3
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| Molecular Weight |
472.467
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| Canonical SMILES |
CCN1CCc2c(C1)cccc2Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C24H23F3N4O3/c1-2-31-14-12-19-16(15-31)5-3-7-21(19)33-22-20(6-4-13-28-22)30-23(32)29-17-8-10-18(11-9-17)34-24(25,26)27/h3-11,13H,2,12,14-15H2,1H3,(H2,29,30,32)
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| InChIKey |
IBEOCEFZBWUPGD-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