General Information of the Compound
| Compound ID |
CP0447888
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| Compound Name |
9-[5'-Deoxy-5'-[(hydroxypyrophosphoroxy)phosphinyl]beta-D-ribo-furanosyl]uracil
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| Structure |
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| Formula |
C9H15N2O14P3
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| Molecular Weight |
468.141
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| Canonical SMILES |
O[C@@H]1[C@@H](CP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
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| InChI |
InChI=1S/C9H15N2O14P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(23-8)3-26(16,17)24-28(21,22)25-27(18,19)20/h1-2,4,6-8,13-14H,3H2,(H,16,17)(H,21,22)(H,10,12,15)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
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| InChIKey |
ILGVXDJXGBETPF-XVFCMESISA-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