General Information of the Compound
| Compound ID |
CP0876316
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| Compound Name |
(2R,3R,4S,5R)-2-(1-(3,4-dihydroxy-5-(diphosphoryloxymethyl)tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-ylthio)-acetic acid ammonium salt
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| Structure |
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| Formula |
C11H19N3O13P2S
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| Molecular Weight |
495.296
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| Canonical SMILES |
N.O=C(O)CSc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1
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| InChI |
InChI=1S/C11H16N2O13P2S.H3N/c14-7(15)4-29-6-1-2-13(11(18)12-6)10-9(17)8(16)5(25-10)3-24-28(22,23)26-27(19,20)21;/h1-2,5,8-10,16-17H,3-4H2,(H,14,15)(H,22,23)(H2,19,20,21);1H3/t5-,8-,9-,10-;/m1./s1
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| InChIKey |
DQBWYPIPGKMHGB-UYMOMCKRSA-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