General Information of the Compound
| Compound ID |
CP0573947
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| Compound Name |
6-(4-cyclopentylpiperazin-1-yl)-9-(3-pyrrolidin-1-ylpropyl)purin-2-amine
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| Structure |
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| Formula |
C21H34N8
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| Molecular Weight |
398.559
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| Canonical SMILES |
Nc1nc(N2CCN(CC2)C2CCCC2)c2ncn(CCCN3CCCC3)c2n1
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| InChI |
InChI=1S/C21H34N8/c22-21-24-19(28-14-12-27(13-15-28)17-6-1-2-7-17)18-20(25-21)29(16-23-18)11-5-10-26-8-3-4-9-26/h16-17H,1-15H2,(H2,22,24,25)
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| InChIKey |
MUELMKFFEHZQRT-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