General Information of the Compound
| Compound ID |
CP0464063
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| Compound Name |
4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzamide
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| Structure |
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| Formula |
C20H23N5O3
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| Molecular Weight |
381.436
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| Canonical SMILES |
CCCn1c(Oc2ccc(cc2)C(N)=O)nc2nc([nH]c2c1=O)C1CCCC1
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| InChI |
InChI=1S/C20H23N5O3/c1-2-11-25-19(27)15-18(23-17(22-15)13-5-3-4-6-13)24-20(25)28-14-9-7-12(8-10-14)16(21)26/h7-10,13H,2-6,11H2,1H3,(H2,21,26)(H,22,23)
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| InChIKey |
LJMUIENAFMGNLX-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