General Information of the Compound
| Compound ID |
CP0849212
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| Compound Name |
(2R,3R,5S)-1-(5-(diphosphoryloxymethyl)-3-hydroxytetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione triethylammonium salt
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| Structure |
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| Formula |
C15H29N3O11P2
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| Molecular Weight |
489.355
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| Canonical SMILES |
CCN(CC)CC.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)C[C@H]2O)c(=O)[nH]1
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| InChI |
InChI=1S/C9H14N2O11P2.C6H15N/c12-6-3-5(4-20-24(18,19)22-23(15,16)17)21-8(6)11-2-1-7(13)10-9(11)14;1-4-7(5-2)6-3/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,10,13,14)(H2,15,16,17);4-6H2,1-3H3/t5-,6+,8+;/m0./s1
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| InChIKey |
VYKYHNMLALBSPN-OERIEOFYSA-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