General Information of the Compound
| Compound ID |
CP0425860
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| Compound Name |
2-benzylthio-1-beta-D-ribofuranosylpyrimidine-4-one-5'-diphosphate
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| Structure |
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| Formula |
C16H20N2O11P2S
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| Molecular Weight |
510.354
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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)nc1SCc1ccccc1
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| InChI |
InChI=1S/C16H20N2O11P2S/c19-12-6-7-18(16(17-12)32-9-10-4-2-1-3-5-10)15-14(21)13(20)11(28-15)8-27-31(25,26)29-30(22,23)24/h1-7,11,13-15,20-21H,8-9H2,(H,25,26)(H2,22,23,24)/t11-,13-,14-,15-/m1/s1
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| InChIKey |
PFEYFSWPCKPKPU-NMFUWQPSSA-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