General Information of the Compound
| Compound ID |
CP0874897
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| Compound Name |
Diphosphoric Acid 1-beta-(3-Butynyl)Ester 2-(2-Thiouridine-5'-yl)ester, bis-Triethylammonium Salt
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| Structure |
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| Formula |
C19H33N3O11P2S
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| Molecular Weight |
573.498
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| Canonical SMILES |
C#CCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=S)[C@H](O)[C@@H]1O.CCN(CC)CC
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| InChI |
InChI=1S/C13H18N2O11P2S.C6H15N/c1-2-3-6-23-27(19,20)26-28(21,22)24-7-8-10(17)11(18)12(25-8)15-5-4-9(16)14-13(15)29;1-4-7(5-2)6-3/h1,4-5,8,10-12,17-18H,3,6-7H2,(H,19,20)(H,21,22)(H,14,16,29);4-6H2,1-3H3/t8-,10-,11-,12-;/m1./s1
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| InChIKey |
LHLKVQYFKILFNG-WNEHWFFFSA-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