General Information of the Compound
| Compound ID |
CP0859558
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| Compound Name |
N4-Methoxycytidine 5-Phenyltriphosphate Triethylammonium salt
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| Structure |
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| Formula |
C22H37N4O15P3
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| Molecular Weight |
690.473
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| Canonical SMILES |
CCN(CC)CC.CO/N=c1/ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)Oc3ccccc3)[C@@H](O)[C@H]2O)c(=O)[nH]1
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| InChI |
InChI=1S/C16H22N3O15P3.C6H15N/c1-29-18-12-7-8-19(16(22)17-12)15-14(21)13(20)11(31-15)9-30-35(23,24)33-37(27,28)34-36(25,26)32-10-5-3-2-4-6-10;1-4-7(5-2)6-3/h2-8,11,13-15,20-21H,9H2,1H3,(H,23,24)(H,25,26)(H,27,28)(H,17,18,22);4-6H2,1-3H3/t11-,13-,14-,15-;/m1./s1
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| InChIKey |
QBEUFSHGBAAQEV-MOAMTLHQSA-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