General Information of the Compound
| Compound ID |
CP0858598
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| Compound Name |
Diphosphoric Acid 1-beta-tert-Butyl Ester 2-(2-Thiouridine-5'-yl)ester, di Ammonium Salt
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| Structure |
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| Formula |
C13H25N3O11P2S
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| Molecular Weight |
493.368
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| Canonical SMILES |
CC(C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=S)[C@H](O)[C@@H]1O.N
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| InChI |
InChI=1S/C13H22N2O11P2S.H3N/c1-13(2,3)25-28(21,22)26-27(19,20)23-6-7-9(17)10(18)11(24-7)15-5-4-8(16)14-12(15)29;/h4-5,7,9-11,17-18H,6H2,1-3H3,(H,19,20)(H,21,22)(H,14,16,29);1H3/t7-,9-,10-,11-;/m1./s1
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| InChIKey |
FBWRMJLNIURBEP-VYFIMUGFSA-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