General Information of the Compound
| Compound ID |
CP0559220
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| Compound Name |
1-(6-cyano-2-ethoxy-3-methylpyridin-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 |
C21H21F3N8O2
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| Molecular Weight |
474.447
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| Canonical SMILES |
CCOc1nc(cc(NC(=O)NCc2cc(C)c(nn2)-c2cn(C)nc2C(F)(F)F)c1C)C#N
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| InChI |
InChI=1S/C21H21F3N8O2/c1-5-34-19-12(3)16(7-13(8-25)27-19)28-20(33)26-9-14-6-11(2)17(30-29-14)15-10-32(4)31-18(15)21(22,23)24/h6-7,10H,5,9H2,1-4H3,(H2,26,27,28,33)
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| InChIKey |
CHANXQOERSRNGA-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
Protein ID: PT01837, Sphingosine 1-phosphate receptor 2