General Information of the Compound
| Compound ID |
CP0487434
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| Compound Name |
1-(2-oxo-1H-quinolin-5-yl)-3-[[2-phenylmethoxy-6-(trifluoromethyl)pyridin-3-yl]methyl]urea
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| Formula |
C24H19F3N4O3
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| Molecular Weight |
468.435
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| Canonical SMILES |
FC(F)(F)c1ccc(CNC(=O)Nc2cccc3[nH]c(=O)ccc23)c(OCc2ccccc2)n1
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| InChI |
InChI=1S/C24H19F3N4O3/c25-24(26,27)20-11-9-16(22(31-20)34-14-15-5-2-1-3-6-15)13-28-23(33)30-19-8-4-7-18-17(19)10-12-21(32)29-18/h1-12H,13-14H2,(H,29,32)(H2,28,30,33)
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| InChIKey |
BWULRIXFTDRQCL-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