General Information of the Compound
| Compound ID |
CP0500238
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| Compound Name |
6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]-N-[(4-fluorophenyl)methyl]purin-2-amine
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| Structure |
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| Formula |
C30H44FN9
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| Molecular Weight |
549.743
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| Canonical SMILES |
CCN1CCN(CCCn2cnc3c(nc(NCc4ccc(F)cc4)nc23)N2CCN(CC2)C2CCCC2)CC1
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| InChI |
InChI=1S/C30H44FN9/c1-2-36-14-16-37(17-15-36)12-5-13-40-23-33-27-28(39-20-18-38(19-21-39)26-6-3-4-7-26)34-30(35-29(27)40)32-22-24-8-10-25(31)11-9-24/h8-11,23,26H,2-7,12-22H2,1H3,(H,32,34,35)
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| InChIKey |
WYDZHPSQPMAQIS-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