General Information of the Compound
| Compound ID |
CP0541090
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| Compound Name |
[[(2R,3S,4R,5R)-4-amino-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C11H18N6O8P2
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| Molecular Weight |
424.247
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| Canonical SMILES |
N[C@@H]1[C@H](OP(O)(=O)CP(O)(O)=O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12
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| InChI |
InChI=1S/C11H18N6O8P2/c12-6-8(25-27(22,23)4-26(19,20)21)5(1-18)24-11(6)17-3-16-7-9(13)14-2-15-10(7)17/h2-3,5-6,8,11,18H,1,4,12H2,(H,22,23)(H2,13,14,15)(H2,19,20,21)/t5-,6-,8-,11-/m1/s1
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| InChIKey |
ISUGAZWCZCYRGQ-HUKYDQBMSA-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