General Information of the Compound
| Compound ID |
CP0438972
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| Compound Name |
((2R,3S,4R,5R)-3,4-dihydroxy-5-(2-(methylamino)-4-oxopyrimidin-1(4H)-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate
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| Structure |
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| Formula |
C10H16N3O8P
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| Molecular Weight |
337.225
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| Canonical SMILES |
CNc1nc(=O)ccn1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C10H16N3O8P/c1-11-10-12-6(14)2-3-13(10)9-8(16)7(15)5(21-9)4-20-22(17,18)19/h2-3,5,7-9,15-16H,4H2,1H3,(H,11,12,14)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
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| InChIKey |
PCXZWACWCNBIAD-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