General Information of the Compound
| Compound ID |
CP0578014
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| Compound Name |
6-(4-cyclopentylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]-9-(3-pyrrolidin-1-ylpropyl)purin-2-amine
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| Structure |
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| Formula |
C29H42N8O
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| Molecular Weight |
518.71
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| Canonical SMILES |
COc1ccc(CNc2nc(N3CCN(CC3)C3CCCC3)c3ncn(CCCN4CCCC4)c3n2)cc1
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| InChI |
InChI=1S/C29H42N8O/c1-38-25-11-9-23(10-12-25)21-30-29-32-27(36-19-17-35(18-20-36)24-7-2-3-8-24)26-28(33-29)37(22-31-26)16-6-15-34-13-4-5-14-34/h9-12,22,24H,2-8,13-21H2,1H3,(H,30,32,33)
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| InChIKey |
HSYRVVSAGVVWSV-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