General Information of the Compound
| Compound ID |
CP0939255
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| Compound Name |
(2R,3R,4S,5R)-1-(3,4-dihydroxy-5-(diphosphoryloxymethyl)-tetrahydrofuran-2-yl)-4-(hexylthio)pyrimidin-2(1H)-one ammonium salt
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| Structure |
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| Formula |
C15H29N3O11P2S
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| Molecular Weight |
521.422
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| Canonical SMILES |
CCCCCCSc1ccn([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/C15H26N2O11P2S.H3N/c1-2-3-4-5-8-31-11-6-7-17(15(20)16-11)14-13(19)12(18)10(27-14)9-26-30(24,25)28-29(21,22)23;/h6-7,10,12-14,18-19H,2-5,8-9H2,1H3,(H,24,25)(H2,21,22,23);1H3/t10-,12-,13-,14-;/m1./s1
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| InChIKey |
HVAFEVHISBKNSM-VNQMUNOFSA-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