General Information of the Compound
| Compound ID |
CP0478646
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| Compound Name |
2-phenylethylthio-1-beta-D-ribofuranosylpyrimidine-4-one-5'-diphosphate
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| Structure |
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| Formula |
C17H22N2O11P2S
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| Molecular Weight |
524.381
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| Canonical SMILES |
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)nc1SCCc1ccccc1
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| InChI |
InChI=1S/C17H22N2O11P2S/c20-13-6-8-19(17(18-13)33-9-7-11-4-2-1-3-5-11)16-15(22)14(21)12(29-16)10-28-32(26,27)30-31(23,24)25/h1-6,8,12,14-16,21-22H,7,9-10H2,(H,26,27)(H2,23,24,25)/t12-,14-,15-,16-/m1/s1
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| InChIKey |
FQUNDQXKPMUPEE-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