General Information of the Compound
| Compound ID |
CP0960642
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| Compound Name |
(2R,3R,4S,5R)-4-(1-(3,4-dihydroxy-5-(diphosphoryloxymethyl)tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-ylthio)-butanoic acid ammonium salt
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| Structure |
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| Formula |
C13H23N3O13P2S
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| Molecular Weight |
523.35
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| Canonical SMILES |
N.O=C(O)CCCSc1ccn([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/C13H20N2O13P2S.H3N/c16-9(17)2-1-5-31-8-3-4-15(13(20)14-8)12-11(19)10(18)7(27-12)6-26-30(24,25)28-29(21,22)23;/h3-4,7,10-12,18-19H,1-2,5-6H2,(H,16,17)(H,24,25)(H2,21,22,23);1H3/t7-,10-,11-,12-;/m1./s1
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| InChIKey |
NIYPEPMUZIJSDM-GGDLLXBTSA-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