General Information of the Compound
| Compound ID |
CP0472081
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| Compound Name |
4-amino-1-[(2R,3S,4R,5R)-3-bromo-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
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| Structure |
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| Formula |
C9H11BrFN3O4
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| Molecular Weight |
324.106
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| Canonical SMILES |
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@]2(F)Br)c(=O)n1
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| InChI |
InChI=1S/C9H11BrFN3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-,9-/m1/s1
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| InChIKey |
IWWNSVYJOJETLN-FJGDRVTGSA-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