General Information of the Compound
| Compound ID |
CP0486314
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| Compound Name |
2-amino-9-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]-1H-purin-6-one
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| Formula |
C15H15N9O2
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| Molecular Weight |
353.346
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| Canonical SMILES |
Nc1nc2n(CCCOc3ccc(cc3)-c3nnn[nH]3)cnc2c(=O)[nH]1
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| InChI |
InChI=1S/C15H15N9O2/c16-15-18-13-11(14(25)19-15)17-8-24(13)6-1-7-26-10-4-2-9(3-5-10)12-20-22-23-21-12/h2-5,8H,1,6-7H2,(H3,16,18,19,25)(H,20,21,22,23)
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| InChIKey |
KVKZSQGNEXUAOZ-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