General Information of the Compound
| Compound ID |
CP0925498
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| Compound Name |
((2R,3S,4R,5R)-5-(6-amino-2-(phenylethynyl)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyltriphosphate tetraammonium salt
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| Structure |
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| Formula |
C18H32N9O13P3
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| Molecular Weight |
675.426
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| Canonical SMILES |
N.N.N.N.Nc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C18H20N5O13P3.4H3N/c19-16-13-17(22-12(21-16)7-6-10-4-2-1-3-5-10)23(9-20-13)18-15(25)14(24)11(34-18)8-33-38(29,30)36-39(31,32)35-37(26,27)28;;;;/h1-5,9,11,14-15,18,24-25H,8H2,(H,29,30)(H,31,32)(H2,19,21,22)(H2,26,27,28);4*1H3/t11-,14-,15-,18-;;;;/m1..../s1
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| InChIKey |
WZEZLTFBDDXDIH-YCLZTDOVSA-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