General Information of the Compound
| Compound ID |
CP0458452
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| Compound Name |
N,N-diethyl-2-[8-(4-methoxyphenyl)-2,6-dimethylpurin-9-yl]acetamide
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| Structure |
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| Formula |
C20H25N5O2
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| Molecular Weight |
367.453
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| Canonical SMILES |
CCN(CC)C(=O)Cn1c(nc2c(C)nc(C)nc12)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C20H25N5O2/c1-6-24(7-2)17(26)12-25-19(15-8-10-16(27-5)11-9-15)23-18-13(3)21-14(4)22-20(18)25/h8-11H,6-7,12H2,1-5H3
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| InChIKey |
ASCQLRFAPIUNIQ-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