General Information of the Compound
| Compound ID |
CP0438154
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| Compound Name |
[2-[(6-aminopurin-9-yl)methoxy]ethoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C9H15N5O7P2
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| Molecular Weight |
367.195
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| Canonical SMILES |
Nc1ncnc2n(COCCOP(O)(=O)CP(O)(O)=O)cnc12
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| InChI |
InChI=1S/C9H15N5O7P2/c10-8-7-9(12-3-11-8)14(4-13-7)5-20-1-2-21-23(18,19)6-22(15,16)17/h3-4H,1-2,5-6H2,(H,18,19)(H2,10,11,12)(H2,15,16,17)
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| InChIKey |
UURZLNJTAODZRR-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