General Information of the Compound
| Compound ID |
CP0394411
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| Compound Name |
3-methyl-1-beta-D-ribofuranosylpyrimidine-2,4-dione 5'-triphosphate
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| Structure |
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| Formula |
C10H17N2O15P3
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| Molecular Weight |
498.167
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| Canonical SMILES |
Cn1c(=O)ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c1=O
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| InChI |
InChI=1S/C10H17N2O15P3/c1-11-6(13)2-3-12(10(11)16)9-8(15)7(14)5(25-9)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H,20,21)(H,22,23)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
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| InChIKey |
JHGDTDPUVDFPIL-ZOQUXTDFSA-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