General Information of the Compound
| Compound ID |
CP0500239
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| Compound Name |
6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]-N-[(4-methoxyphenyl)methyl]purin-2-amine
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| Structure |
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| Formula |
C31H47N9O
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| Molecular Weight |
561.779
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| Canonical SMILES |
CCN1CCN(CCCn2cnc3c(nc(NCc4ccc(OC)cc4)nc23)N2CCN(CC2)C2CCCC2)CC1
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| InChI |
InChI=1S/C31H47N9O/c1-3-36-15-17-37(18-16-36)13-6-14-40-24-33-28-29(39-21-19-38(20-22-39)26-7-4-5-8-26)34-31(35-30(28)40)32-23-25-9-11-27(41-2)12-10-25/h9-12,24,26H,3-8,13-23H2,1-2H3,(H,32,34,35)
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| InChIKey |
YDVOMGUJIPYTCF-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