General Information of the Compound
| Compound ID |
CP0443802
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| Compound Name |
(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-bromo-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
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| Structure |
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| Formula |
C10H11BrFN5O3
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| Molecular Weight |
348.132
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| Canonical SMILES |
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@H](O)[C@@]1(F)Br
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| InChI |
InChI=1S/C10H11BrFN5O3/c11-10(12)6(19)4(1-18)20-9(10)17-3-16-5-7(13)14-2-15-8(5)17/h2-4,6,9,18-19H,1H2,(H2,13,14,15)/t4-,6+,9-,10+/m1/s1
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| InChIKey |
JTUCAFQVRHFYFB-TWJUVVLDSA-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