General Information of the Compound
| Compound ID |
CP0437973
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| Compound Name |
9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperidin-1-ylpurine
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| Structure |
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| Formula |
C19H31N7
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| Molecular Weight |
357.506
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| Canonical SMILES |
CCN1CCN(CCCn2cnc3c(ncnc23)N2CCCCC2)CC1
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| InChI |
InChI=1S/C19H31N7/c1-2-23-11-13-24(14-12-23)7-6-10-26-16-22-17-18(20-15-21-19(17)26)25-8-4-3-5-9-25/h15-16H,2-14H2,1H3
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| InChIKey |
NNJKTPKPJNWBHB-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