General Information of the Compound
| Compound ID |
CP0547064
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| Compound Name |
1-(2-chloro-6-ethoxypyridin-4-yl)-3-[[4-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridin-2-yl]methyl]urea
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| Formula |
C20H20ClF3N6O2
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| Molecular Weight |
468.867
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| Canonical SMILES |
CCOc1cc(NC(=O)NCc2cc(C)c(cn2)-c2cn(C)nc2C(F)(F)F)cc(Cl)n1
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| InChI |
InChI=1S/C20H20ClF3N6O2/c1-4-32-17-7-12(6-16(21)28-17)27-19(31)26-8-13-5-11(2)14(9-25-13)15-10-30(3)29-18(15)20(22,23)24/h5-7,9-10H,4,8H2,1-3H3,(H2,26,27,28,31)
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| InChIKey |
LFUJDODKDQAKJC-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