General Information of the Compound
| Compound ID |
CP0433478
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| Compound Name |
3-phenacyl-1-beta-D-ribofuranosylpyrimidine-2,4-dione 2'-Monophosphate-5'-triphosphate
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| Structure |
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| Formula |
C17H22N2O19P4
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| Molecular Weight |
682.254
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| Canonical SMILES |
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1OP(O)(O)=O)n1ccc(=O)n(CC(=O)c2ccccc2)c1=O
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| InChI |
InChI=1S/C17H22N2O19P4/c20-11(10-4-2-1-3-5-10)8-19-13(21)6-7-18(17(19)23)16-15(36-39(24,25)26)14(22)12(35-16)9-34-41(30,31)38-42(32,33)37-40(27,28)29/h1-7,12,14-16,22H,8-9H2,(H,30,31)(H,32,33)(H2,24,25,26)(H2,27,28,29)/t12-,14-,15-,16-/m1/s1
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| InChIKey |
QTOAFQFXYVDFKV-DTZQCDIJSA-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: PT04714, P2Y purinoceptor 2
Protein ID: PT05219, P2Y purinoceptor 4
Protein ID: PT02796, P2Y purinoceptor 6