General Information of the Compound
| Compound ID |
CP0460358
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| Compound Name |
2-propylthio-1-beta-D-ribofuranosylpyramidine-4-one-5'-diphosphate
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| Structure |
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| Formula |
C12H20N2O11P2S
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| Molecular Weight |
462.31
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| Canonical SMILES |
CCCSc1nc(=O)ccn1[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C12H20N2O11P2S/c1-2-5-28-12-13-8(15)3-4-14(12)11-10(17)9(16)7(24-11)6-23-27(21,22)25-26(18,19)20/h3-4,7,9-11,16-17H,2,5-6H2,1H3,(H,21,22)(H2,18,19,20)/t7-,9-,10-,11-/m1/s1
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| InChIKey |
PSPSPUIWAWTIGL-QCNRFFRDSA-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