General Information of the Compound
| Compound ID |
CP0457361
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| Compound Name |
1-[2-[[2-(2-phenylethyl)-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 |
C30H27F3N4O3
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| Molecular Weight |
548.565
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| Canonical SMILES |
FC(F)(F)Oc1ccc(NC(=O)Nc2cccnc2Oc2cccc3CN(CCc4ccccc4)CCc23)cc1
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| InChI |
InChI=1S/C30H27F3N4O3/c31-30(32,33)40-24-13-11-23(12-14-24)35-29(38)36-26-9-5-17-34-28(26)39-27-10-4-8-22-20-37(19-16-25(22)27)18-15-21-6-2-1-3-7-21/h1-14,17H,15-16,18-20H2,(H2,35,36,38)
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| InChIKey |
FJJYRUPBDUQRHT-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