General Information of the Compound
| Compound ID |
CP0569012
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| Compound Name |
cyclopentyl-[4-[2-(2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C25H30N4O3
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| Molecular Weight |
434.54
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| Canonical SMILES |
COc1ccc(-c2cn3ccc(cc3n2)N2CCN(CC2)C(=O)C2CCCC2)c(OC)c1
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| InChI |
InChI=1S/C25H30N4O3/c1-31-20-7-8-21(23(16-20)32-2)22-17-29-10-9-19(15-24(29)26-22)27-11-13-28(14-12-27)25(30)18-5-3-4-6-18/h7-10,15-18H,3-6,11-14H2,1-2H3
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| InChIKey |
LTSWTAJLBRTEOO-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