General Information of the Compound
| Compound ID |
CP0914978
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| Compound Name |
((2R,3S,4R,5R)-5-(6-chloro-4-(methylamino)-1H-imidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyltriphosphate tetraammonium salt
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| Structure |
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| Formula |
C12H30ClN8O13P3
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| Molecular Weight |
622.79
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| Canonical SMILES |
CNc1nc(Cl)cc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.N.N.N.N
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| InChI |
InChI=1S/C12H18ClN4O13P3.4H3N/c1-14-11-8-5(2-7(13)16-11)17(4-15-8)12-10(19)9(18)6(28-12)3-27-32(23,24)30-33(25,26)29-31(20,21)22;;;;/h2,4,6,9-10,12,18-19H,3H2,1H3,(H,14,16)(H,23,24)(H,25,26)(H2,20,21,22);4*1H3/t6-,9-,10-,12-;;;;/m1..../s1
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| InChIKey |
VVFUHJSSVPRLJU-VBWYGNJBSA-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