General Information of the Compound
| Compound ID |
CP0568708
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| Compound Name |
1,3-dimethyl-7-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]purine-2,6-dione
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| Formula |
C17H18N8O3
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| Molecular Weight |
382.384
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| Canonical SMILES |
Cn1c2ncn(CCCOc3ccc(cc3)-c3nnn[nH]3)c2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C17H18N8O3/c1-23-15-13(16(26)24(2)17(23)27)25(10-18-15)8-3-9-28-12-6-4-11(5-7-12)14-19-21-22-20-14/h4-7,10H,3,8-9H2,1-2H3,(H,19,20,21,22)
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| InChIKey |
QQZUWNNBUMQJFP-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