General Information of the Compound
| Compound ID |
CP0543573
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| Compound Name |
(4-fluorophenyl)-[4-[2-(4-methoxy-2-phenylmethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C32H29FN4O3
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| Molecular Weight |
536.607
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| Canonical SMILES |
COc1ccc(-c2cn3ccc(cc3n2)N2CCN(CC2)C(=O)c2ccc(F)cc2)c(OCc2ccccc2)c1
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| InChI |
InChI=1S/C32H29FN4O3/c1-39-27-11-12-28(30(20-27)40-22-23-5-3-2-4-6-23)29-21-37-14-13-26(19-31(37)34-29)35-15-17-36(18-16-35)32(38)24-7-9-25(33)10-8-24/h2-14,19-21H,15-18,22H2,1H3
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| InChIKey |
FYWMKOMXCSVXDG-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