General Information of the Compound
| Compound ID |
CP0412288
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| Compound Name |
2-amino-9-[(2R,3S,4R,5R)-3-bromo-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
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| Structure |
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| Formula |
C10H11BrFN5O4
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| Molecular Weight |
364.131
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| Canonical SMILES |
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@]1(F)Br
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| InChI |
InChI=1S/C10H11BrFN5O4/c11-10(12)5(19)3(1-18)21-8(10)17-2-14-4-6(17)15-9(13)16-7(4)20/h2-3,5,8,18-19H,1H2,(H3,13,15,16,20)/t3-,5-,8-,10-/m1/s1
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| InChIKey |
UCXOXXCEFSNMCC-AEHJODJJSA-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