General Information of the Compound
| Compound ID |
CP0543579
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| Compound Name |
2-(2,4-dimethoxyphenyl)-7-(4-propan-2-ylpiperazin-1-yl)-3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine
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| Structure |
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| Formula |
C27H37N5O2
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| Molecular Weight |
463.626
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| Canonical SMILES |
COc1ccc(-c2nc3cc(ccn3c2CN2CCCC2)N2CCN(CC2)C(C)C)c(OC)c1
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| InChI |
InChI=1S/C27H37N5O2/c1-20(2)30-13-15-31(16-14-30)21-9-12-32-24(19-29-10-5-6-11-29)27(28-26(32)17-21)23-8-7-22(33-3)18-25(23)34-4/h7-9,12,17-18,20H,5-6,10-11,13-16,19H2,1-4H3
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| InChIKey |
VDACGIWUTIGQPS-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