General Information of the Compound
| Compound ID |
CP0440440
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| Compound Name |
[[(2R,3S,4R,5R)-5-(3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C9H15N3O11P2
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| Molecular Weight |
403.177
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| Canonical SMILES |
O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1ncc(=O)[nH]c1=O
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| InChI |
InChI=1S/C9H15N3O11P2/c13-5-1-10-12(9(16)11-5)8-7(15)6(14)4(23-8)2-22-25(20,21)3-24(17,18)19/h1,4,6-8,14-15H,2-3H2,(H,20,21)(H,11,13,16)(H2,17,18,19)/t4-,6-,7-,8-/m1/s1
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| InChIKey |
NAUWTFOEAFWMTI-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