General Information of the Compound
| Compound ID |
CP0568719
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| Compound Name |
6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-9-(3-pyrrolidin-1-ylpropyl)purin-2-amine
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| Structure |
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| Formula |
C25H35FN8
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| Molecular Weight |
466.609
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| Canonical SMILES |
CCN1CCN(CC1)c1nc(NCc2ccc(F)cc2)nc2n(CCCN3CCCC3)cnc12
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| InChI |
InChI=1S/C25H35FN8/c1-2-31-14-16-33(17-15-31)23-22-24(34(19-28-22)13-5-12-32-10-3-4-11-32)30-25(29-23)27-18-20-6-8-21(26)9-7-20/h6-9,19H,2-5,10-18H2,1H3,(H,27,29,30)
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| InChIKey |
WDTBSHBYDYJBNH-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: PT02546, Toll-like receptor 8
Protein ID: PT01922, Toll-like receptor 9