General Information of the Compound
| Compound ID |
CP0543566
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| Compound Name |
N-benzyl-7-(4-cyclopentylpiperazin-1-yl)-2-(2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine
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| Structure |
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| Formula |
C31H37N5O2
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| Molecular Weight |
511.67
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| Canonical SMILES |
COc1ccc(-c2nc3cc(ccn3c2NCc2ccccc2)N2CCN(CC2)C2CCCC2)c(OC)c1
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| InChI |
InChI=1S/C31H37N5O2/c1-37-26-12-13-27(28(21-26)38-2)30-31(32-22-23-8-4-3-5-9-23)36-15-14-25(20-29(36)33-30)35-18-16-34(17-19-35)24-10-6-7-11-24/h3-5,8-9,12-15,20-21,24,32H,6-7,10-11,16-19,22H2,1-2H3
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| InChIKey |
XHHNBDYVBHBLEW-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