General Information of the Compound
| Compound ID |
CP0932560
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| Compound Name |
(2R,3R,4S,5R)-4-(allylthio)-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 |
C12H21N3O11P2S
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| Molecular Weight |
477.325
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| Canonical SMILES |
C=CCSc1ccn([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/C12H18N2O11P2S.H3N/c1-2-5-28-8-3-4-14(12(17)13-8)11-10(16)9(15)7(24-11)6-23-27(21,22)25-26(18,19)20;/h2-4,7,9-11,15-16H,1,5-6H2,(H,21,22)(H2,18,19,20);1H3/t7-,9-,10-,11-;/m1./s1
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| InChIKey |
KMRWJMURAPNTPB-VYFIMUGFSA-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