General Information of the Compound
| Compound ID |
CP0854649
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| Compound Name |
4-Amino-5-bromo-1-(5-ethynyl-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one
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| Structure |
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| Formula |
C11H12BrN3O4
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| Molecular Weight |
330.138
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| Canonical SMILES |
C#C[C@]1(CO)O[C@@H](n2cc(Br)c(N)nc2=O)C[C@@H]1O
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| InChI |
InChI=1S/C11H12BrN3O4/c1-2-11(5-16)7(17)3-8(19-11)15-4-6(12)9(13)14-10(15)18/h1,4,7-8,16-17H,3,5H2,(H2,13,14,18)/t7-,8+,11+/m0/s1
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| InChIKey |
VGLKVYYPGGJFTH-VAOFZXAKSA-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