General Information of the Compound
| Compound ID |
CP0443811
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| Compound Name |
6-amino-9-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-8-one
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| Structure |
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| Formula |
C14H23N7O
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| Molecular Weight |
305.386
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| Canonical SMILES |
CCN1CCN(CCCn2c(O)nc3c(N)ncnc23)CC1
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| InChI |
InChI=1S/C14H23N7O/c1-2-19-6-8-20(9-7-19)4-3-5-21-13-11(18-14(21)22)12(15)16-10-17-13/h10H,2-9H2,1H3,(H,18,22)(H2,15,16,17)
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| InChIKey |
SJYYYIFHJMHBMF-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