General Information of the Compound
| Compound ID |
CP0422755
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| Compound Name |
1-[[5-[(1,3-dimethylpyrazol-4-yl)amino]-4-methylpyridin-2-yl]methyl]-3-[2-ethoxy-6-(trifluoromethyl)pyridin-4-yl]urea
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| Formula |
C21H24F3N7O2
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| Molecular Weight |
463.464
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| Canonical SMILES |
CCOc1cc(NC(=O)NCc2cc(C)c(Nc3cn(C)nc3C)cn2)cc(n1)C(F)(F)F
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| InChI |
InChI=1S/C21H24F3N7O2/c1-5-33-19-8-14(7-18(29-19)21(22,23)24)27-20(32)26-9-15-6-12(2)16(10-25-15)28-17-11-31(4)30-13(17)3/h6-8,10-11,28H,5,9H2,1-4H3,(H2,26,27,29,32)
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| InChIKey |
JZXDEGLEWCFEOC-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