General Information of the Compound
| Compound ID |
CP0443809
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| Compound Name |
6-amino-2-butoxy-9-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-8-one
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| Structure |
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| Formula |
C18H31N7O2
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| Molecular Weight |
377.493
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| Canonical SMILES |
CCCCOc1nc(N)c2nc(O)n(CCCN3CCN(CC)CC3)c2n1
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| InChI |
InChI=1S/C18H31N7O2/c1-3-5-13-27-17-21-15(19)14-16(22-17)25(18(26)20-14)8-6-7-24-11-9-23(4-2)10-12-24/h3-13H2,1-2H3,(H,20,26)(H2,19,21,22)
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| InChIKey |
MNFDYUQDPAWMCR-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