General Information of the Compound
| Compound ID |
CP0153229
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| Compound Name |
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-[2-methoxy-4-[(E)-2-nitroethenyl]phenoxy]sulfonylbenzoate
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| Structure |
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| Formula |
C26H24N6O11S
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| Molecular Weight |
628.576
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| Canonical SMILES |
COc1cc(\C=C\[N+]([O-])=O)ccc1OS(=O)(=O)c1ccc(cc1)C(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
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| InChI |
InChI=1S/C26H24N6O11S/c1-40-18-10-14(8-9-32(36)37)2-7-17(18)43-44(38,39)16-5-3-15(4-6-16)26(35)41-11-19-21(33)22(34)25(42-19)31-13-30-20-23(27)28-12-29-24(20)31/h2-10,12-13,19,21-22,25,33-34H,11H2,1H3,(H2,27,28,29)/b9-8+/t19-,21-,22-,25-/m1/s1
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| InChIKey |
UTMLAQRGHJCWRX-RWYVROSXSA-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