General Information of the Compound
| Compound ID |
CP0938662
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| Compound Name |
(2R,3R,4S,5R)-1-(3,4-dihydroxy-5-(diphosphoryloxymethyl)-tetrahydrofuran-2-yl)-4-(methylthio)pyrimidin-2(1H)-one ammonium salt
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| Structure |
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| Formula |
C10H19N3O11P2S
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| Molecular Weight |
451.287
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| Canonical SMILES |
CSc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1.N
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| InChI |
InChI=1S/C10H16N2O11P2S.H3N/c1-26-6-2-3-12(10(15)11-6)9-8(14)7(13)5(22-9)4-21-25(19,20)23-24(16,17)18;/h2-3,5,7-9,13-14H,4H2,1H3,(H,19,20)(H2,16,17,18);1H3/t5-,7-,8-,9-;/m1./s1
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| InChIKey |
FECCFXCNTUTWAY-BKZSBQMKSA-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