General Information of the Compound
| Compound ID |
CP0544709
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| Compound Name |
N-[6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-yl]benzamide
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| Structure |
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| Formula |
C27H39N9O
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| Molecular Weight |
505.671
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| Canonical SMILES |
CCN1CCN(CCCn2cnc3c(nc(NC(=O)c4ccccc4)nc23)N2CCN(CC)CC2)CC1
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| InChI |
InChI=1S/C27H39N9O/c1-3-32-13-15-34(16-14-32)11-8-12-36-21-28-23-24(35-19-17-33(4-2)18-20-35)29-27(30-25(23)36)31-26(37)22-9-6-5-7-10-22/h5-7,9-10,21H,3-4,8,11-20H2,1-2H3,(H,29,30,31,37)
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| InChIKey |
FFQVBAFMKLMFQJ-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