General Information of the Compound
| Compound ID |
CP0401576
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| Compound Name |
[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
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| Structure |
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| Formula |
C15H24N2O16P2S
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| Molecular Weight |
582.37
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| Canonical SMILES |
OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=S)[nH]c2=O)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C15H24N2O16P2S/c18-3-5-8(19)10(21)12(23)14(31-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(30-6)17-2-1-7(36)16-15(17)24/h1-2,5-6,8-14,18-23H,3-4H2,(H,25,26)(H,27,28)(H,16,24,36)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1
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| InChIKey |
UZCPXQNAFYGUOP-JZMIEXBBSA-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
Protein ID: PT05434, P2Y purinoceptor 14
Protein ID: PT02796, P2Y purinoceptor 6