General Information of the Compound
| Compound ID |
CP0565778
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| Compound Name |
9-[4-[4-(2H-tetrazol-5-yl)phenoxy]butyl]purin-6-amine
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| Formula |
C16H17N9O
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| Molecular Weight |
351.374
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| Canonical SMILES |
Nc1ncnc2n(CCCCOc3ccc(cc3)-c3nnn[nH]3)cnc12
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| InChI |
InChI=1S/C16H17N9O/c17-14-13-16(19-9-18-14)25(10-20-13)7-1-2-8-26-12-5-3-11(4-6-12)15-21-23-24-22-15/h3-6,9-10H,1-2,7-8H2,(H2,17,18,19)(H,21,22,23,24)
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| InChIKey |
DVAGQYKBKMUHFF-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