General Information of the Compound
| Compound ID |
CP0845743
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| Compound Name |
(2R,3R,4S,5R)-4-(benzylthio)-1-(3,4-dihydroxy-5-(diphosphoryloxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one ammonium salt
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| Structure |
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| Formula |
C16H23N3O11P2S
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| Molecular Weight |
527.385
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| Canonical SMILES |
N.O=c1nc(SCc2ccccc2)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C16H20N2O11P2S.H3N/c19-13-11(8-27-31(25,26)29-30(22,23)24)28-15(14(13)20)18-7-6-12(17-16(18)21)32-9-10-4-2-1-3-5-10;/h1-7,11,13-15,19-20H,8-9H2,(H,25,26)(H2,22,23,24);1H3/t11-,13-,14-,15-;/m1./s1
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| InChIKey |
YTMOKTNNDAZMGG-MOAMTLHQSA-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