General Information of the Compound
| Compound ID |
CP0569189
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| Compound Name |
2-[7-(4-cyclopentylpiperazin-1-yl)-3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenol
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| Structure |
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| Formula |
C28H37N5O2
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| Molecular Weight |
475.637
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| Canonical SMILES |
COc1ccc(-c2nc3cc(ccn3c2CN2CCCC2)N2CCN(CC2)C2CCCC2)c(O)c1
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| InChI |
InChI=1S/C28H37N5O2/c1-35-23-8-9-24(26(34)19-23)28-25(20-30-11-4-5-12-30)33-13-10-22(18-27(33)29-28)32-16-14-31(15-17-32)21-6-2-3-7-21/h8-10,13,18-19,21,34H,2-7,11-12,14-17,20H2,1H3
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| InChIKey |
JDXYNXZYMLETKP-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