General Information of the Compound
| Compound ID |
CP0566095
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| Compound Name |
2-pentoxy-N-(7H-purin-6-yl)benzamide
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| Structure |
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| Formula |
C17H19N5O2
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| Molecular Weight |
325.372
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| Canonical SMILES |
CCCCCOc1ccccc1C(=O)Nc1ncnc2[nH]cnc12
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| InChI |
InChI=1S/C17H19N5O2/c1-2-3-6-9-24-13-8-5-4-7-12(13)17(23)22-16-14-15(19-10-18-14)20-11-21-16/h4-5,7-8,10-11H,2-3,6,9H2,1H3,(H2,18,19,20,21,22,23)
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| InChIKey |
XNCSRMKXGXDHTA-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