General Information of the Compound
| Compound ID |
CP0453591
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| Compound Name |
6-propyl-3-beta-D-ribofuranosyl(1H)pyrimidine-2,4-dione 2',3'-(cyclic phosphate) 5'-triphosphate
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| Structure |
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| Formula |
C12H20N2O17P4
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| Molecular Weight |
588.185
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| Canonical SMILES |
CCCc1cc(=O)n([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]3OP(O)(=O)O[C@@H]23)c(=O)[nH]1
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| InChI |
InChI=1S/C12H20N2O17P4/c1-2-3-6-4-8(15)14(12(16)13-6)11-10-9(28-34(22,23)29-10)7(27-11)5-26-33(20,21)31-35(24,25)30-32(17,18)19/h4,7,9-11H,2-3,5H2,1H3,(H,13,16)(H,20,21)(H,22,23)(H,24,25)(H2,17,18,19)/t7-,9-,10-,11-/m1/s1
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| InChIKey |
TVHZXCKQSILXQE-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