General Information of the Compound
| Compound ID |
CP0376575
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| Compound Name |
1-beta-D-ribofuranosyl(3H)pyrimidine-2,4,6-trione 5'-triphosphate
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| Structure |
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| Formula |
C9H15N2O16P3
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| Molecular Weight |
500.139
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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]1O)n1c(O)cc(=O)[nH]c1=O
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| InChI |
InChI=1S/C9H15N2O16P3/c12-4-1-5(13)11(9(16)10-4)8-7(15)6(14)3(25-8)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h1,3,6-8,13-15H,2H2,(H,20,21)(H,22,23)(H,10,12,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1
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| InChIKey |
MTOPXBLKWYGUFG-YXZULKJRSA-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