General Information of the Compound
| Compound ID |
CP0468927
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| Compound Name |
6-(4-ethylpiperazin-1-yl)-9-(3-pyrrolidin-1-ylpropyl)purine
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| Structure |
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| Formula |
C18H29N7
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| Molecular Weight |
343.479
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| Canonical SMILES |
CCN1CCN(CC1)c1ncnc2n(CCCN3CCCC3)cnc12
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| InChI |
InChI=1S/C18H29N7/c1-2-22-10-12-24(13-11-22)17-16-18(20-14-19-17)25(15-21-16)9-5-8-23-6-3-4-7-23/h14-15H,2-13H2,1H3
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| InChIKey |
XCAMOKFWEQHZEA-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