General Information of the Compound
| Compound ID |
CP0859586
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| Compound Name |
P1,P3-Di(uridine5'-)alpha,beta-MethylenetriphosphateTriethylammonium salt
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| Structure |
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| Formula |
C25H42N5O19P3
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| Molecular Weight |
809.549
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| Canonical SMILES |
CCN(CC)CC.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1
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| InChI |
InChI=1S/C19H27N4O19P3.C6H15N/c24-10-1-3-22(18(30)20-10)16-14(28)12(26)8(40-16)5-38-43(32,33)7-44(34,35)42-45(36,37)39-6-9-13(27)15(29)17(41-9)23-4-2-11(25)21-19(23)31;1-4-7(5-2)6-3/h1-4,8-9,12-17,26-29H,5-7H2,(H,32,33)(H,34,35)(H,36,37)(H,20,24,30)(H,21,25,31);4-6H2,1-3H3/t8-,9-,12-,13-,14-,15-,16-,17-;/m1./s1
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| InChIKey |
MMAQZGJVFNLLQE-CNAMJEKYSA-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: PT02796, P2Y purinoceptor 6