General Information of the Compound
| Compound ID |
CP0500234
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| Compound Name |
6-(4-ethylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]-9-(3-pyrrolidin-1-ylpropyl)purin-2-amine
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| Structure |
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| Formula |
C26H38N8O
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| Molecular Weight |
478.645
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| Canonical SMILES |
CCN1CCN(CC1)c1nc(NCc2ccc(OC)cc2)nc2n(CCCN3CCCC3)cnc12
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| InChI |
InChI=1S/C26H38N8O/c1-3-31-15-17-33(18-16-31)24-23-25(34(20-28-23)14-6-13-32-11-4-5-12-32)30-26(29-24)27-19-21-7-9-22(35-2)10-8-21/h7-10,20H,3-6,11-19H2,1-2H3,(H,27,29,30)
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| InChIKey |
QELPYYWZCHIDGP-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