General Information of the Compound
| Compound ID |
CP0938661
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| Compound Name |
(2R,3R,4S,5R)-3-(1-(3,4-dihydroxy-5-(diphosphoryloxymethyl)tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-ylthio)-propanoic acid ammonium salt
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| Structure |
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| Formula |
C12H21N3O13P2S
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| Molecular Weight |
509.323
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| Canonical SMILES |
N.O=C(O)CCSc1ccn([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/C12H18N2O13P2S.H3N/c15-8(16)2-4-30-7-1-3-14(12(19)13-7)11-10(18)9(17)6(26-11)5-25-29(23,24)27-28(20,21)22;/h1,3,6,9-11,17-18H,2,4-5H2,(H,15,16)(H,23,24)(H2,20,21,22);1H3/t6-,9-,10-,11-;/m1./s1
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| InChIKey |
TYHXJTUZCKGXSR-WPHFMOMVSA-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