General Information of the Compound
| Compound ID |
CP0478619
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| Compound Name |
2-[3-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]phenyl]acetic acid
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| Structure |
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| Formula |
C21H24N4O4
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| Molecular Weight |
396.447
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| Canonical SMILES |
CCCn1c(Oc2cccc(CC(O)=O)c2)nc2nc([nH]c2c1=O)C1CCCC1
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| InChI |
InChI=1S/C21H24N4O4/c1-2-10-25-20(28)17-19(23-18(22-17)14-7-3-4-8-14)24-21(25)29-15-9-5-6-13(11-15)12-16(26)27/h5-6,9,11,14H,2-4,7-8,10,12H2,1H3,(H,22,23)(H,26,27)
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| InChIKey |
LNEMDKVGCTTZJD-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