General Information of the Compound
| Compound ID |
CP0471276
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| Compound Name |
1-(2-chloro-6-ethoxypyridin-4-yl)-3-[[5-(2,6-dimethylmorpholin-4-yl)-4-methylpyridin-2-yl]methyl]urea
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| Formula |
C21H28ClN5O3
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| Molecular Weight |
433.94
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| Canonical SMILES |
CCOc1cc(NC(=O)NCc2cc(C)c(cn2)N2CC(C)OC(C)C2)cc(Cl)n1
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| InChI |
InChI=1S/C21H28ClN5O3/c1-5-29-20-8-16(7-19(22)26-20)25-21(28)24-9-17-6-13(2)18(10-23-17)27-11-14(3)30-15(4)12-27/h6-8,10,14-15H,5,9,11-12H2,1-4H3,(H2,24,25,26,28)
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| InChIKey |
LLHISOBLTLRHPB-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