General Information of the Compound
| Compound ID |
CP0382474
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| Compound Name |
[(2R,3R,4R,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonooxyoxan-2-yl]oxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
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| Structure |
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| Formula |
C15H25N2O20P3
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| Molecular Weight |
646.281
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](OP(O)(O)=O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O)n1ccc(=O)[nH]c1=O
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| InChI |
InChI=1S/C15H25N2O20P3/c18-3-5-9(12(37-40(29,30)31)13(32-5)17-2-1-7(20)16-15(17)22)34-14-8(21)11(36-39(26,27)28)10(6(4-19)33-14)35-38(23,24)25/h1-2,5-6,8-14,18-19,21H,3-4H2,(H,16,20,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)/t5-,6-,8-,9-,10-,11-,12-,13-,14-/m1/s1
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| InChIKey |
GYFNOPHNYMXZTE-NQQHDEILSA-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