General Information of the Compound
| Compound ID |
CP0546380
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| Compound Name |
6-chloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methylpyridin-2-yl]methyl]-4-ethoxy-1H-imidazo[4,5-c]pyridin-2-amine
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| Formula |
C20H22ClN7O
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| Molecular Weight |
411.897
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| Canonical SMILES |
CCOc1nc(Cl)cc2nc(NCc3cc(C)c(cn3)-c3cn(C)nc3C)[nH]c12
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| InChI |
InChI=1S/C20H22ClN7O/c1-5-29-19-18-16(7-17(21)25-19)24-20(26-18)23-8-13-6-11(2)14(9-22-13)15-10-28(4)27-12(15)3/h6-7,9-10H,5,8H2,1-4H3,(H2,23,24,26)
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| InChIKey |
NMQDOCXFDSUOAL-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