General Information of the Compound
| Compound ID |
CP0543575
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| Compound Name |
2-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]-7-piperazin-1-ylimidazo[1,2-a]pyridine
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| Structure |
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| Formula |
C25H33N5O2
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| Molecular Weight |
435.572
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| Canonical SMILES |
COc1ccc(-c2cn3ccc(cc3n2)N2CCNCC2)c(OCCCN2CCCC2)c1
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| InChI |
InChI=1S/C25H33N5O2/c1-31-21-5-6-22(24(18-21)32-16-4-12-28-10-2-3-11-28)23-19-30-13-7-20(17-25(30)27-23)29-14-8-26-9-15-29/h5-7,13,17-19,26H,2-4,8-12,14-16H2,1H3
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| InChIKey |
HNAOUDHYGDCBQL-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: PT02160, Toll-like receptor 7
Protein ID: PT01922, Toll-like receptor 9