General Information of the Compound
| Compound ID |
CP0548502
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| Compound Name |
2-[4-(1,3-dibenzyl-2,6-dioxo-7H-purin-8-yl)phenoxy]acetic acid
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| Structure |
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| Formula |
C27H22N4O5
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| Molecular Weight |
482.496
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| Canonical SMILES |
OC(=O)COc1ccc(cc1)-c1nc2n(Cc3ccccc3)c(=O)n(Cc3ccccc3)c(=O)c2[nH]1
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| InChI |
InChI=1S/C27H22N4O5/c32-22(33)17-36-21-13-11-20(12-14-21)24-28-23-25(29-24)30(15-18-7-3-1-4-8-18)27(35)31(26(23)34)16-19-9-5-2-6-10-19/h1-14H,15-17H2,(H,28,29)(H,32,33)
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| InChIKey |
WDHLDLUOOPJCQL-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