General Information of the Compound
| Compound ID |
CP0443812
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| Compound Name |
6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine
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| Structure |
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| Formula |
C23H38N8
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| Molecular Weight |
426.613
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| Canonical SMILES |
CCN1CCN(CCCn2cnc3c(ncnc23)N2CCN(CC2)C2CCCC2)CC1
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| InChI |
InChI=1S/C23H38N8/c1-2-27-10-12-28(13-11-27)8-5-9-31-19-26-21-22(24-18-25-23(21)31)30-16-14-29(15-17-30)20-6-3-4-7-20/h18-20H,2-17H2,1H3
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| InChIKey |
CQZSCSRWNNQHOV-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