General Information of the Compound
| Compound ID |
CP0479444
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| Compound Name |
[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-[(2-methylpropan-2-yl)oxyamino]-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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| Structure |
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| Formula |
C13H24N3O15P3
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| Molecular Weight |
555.263
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| Canonical SMILES |
CC(C)(C)ONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
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| InChI |
InChI=1S/C13H24N3O15P3/c1-13(2,3)29-15-8-4-5-16(12(19)14-8)11-10(18)9(17)7(28-11)6-27-33(23,24)31-34(25,26)30-32(20,21)22/h4-5,7,9-11,17-18H,6H2,1-3H3,(H,23,24)(H,25,26)(H,14,15,19)(H2,20,21,22)/t7-,9-,10-,11-/m1/s1
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| InChIKey |
UJSOQUAGCZVHGO-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