General Information of the Compound
| Compound ID |
CP0398926
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| Compound Name |
({[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(5-iodo-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-difluoro-methyl)-phosphonic acid
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| Structure |
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| Formula |
C10H13F2IN2O11P2
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| Molecular Weight |
564.065
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| Canonical SMILES |
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)C(F)(F)P(O)(O)=O)n1cc(I)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C10H13F2IN2O11P2/c11-10(12,27(20,21)22)28(23,24)25-2-4-5(16)6(17)8(26-4)15-1-3(13)7(18)14-9(15)19/h1,4-6,8,16-17H,2H2,(H,23,24)(H,14,18,19)(H2,20,21,22)/t4-,5-,6-,8-/m1/s1
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| InChIKey |
AVZZQPCQWAZPGG-UAKXSSHOSA-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: PT05434, P2Y purinoceptor 14
Protein ID: PT02796, P2Y purinoceptor 6