General Information of the Compound
| Compound ID |
CP0546377
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| Compound Name |
1-[2-(2-hydroxyethoxy)-6-(trifluoromethyl)pyridin-4-yl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
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| Structure |
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| Formula |
C20H19F6N7O3
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| Molecular Weight |
519.406
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| Canonical SMILES |
Cc1cc(CNC(=O)Nc2cc(OCCO)nc(c2)C(F)(F)F)nnc1-c1cn(C)nc1C(F)(F)F
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| InChI |
InChI=1S/C20H19F6N7O3/c1-10-5-12(30-31-16(10)13-9-33(2)32-17(13)20(24,25)26)8-27-18(35)28-11-6-14(19(21,22)23)29-15(7-11)36-4-3-34/h5-7,9,34H,3-4,8H2,1-2H3,(H2,27,28,29,35)
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| InChIKey |
GCDRVAIZUBXMFH-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