General Information of the Compound
| Compound ID |
CP0159463
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| Compound Name |
5''-O-(Sulfamoyl)Adenosine
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| Structure |
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| Formula |
C10H14N6O6S
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| Molecular Weight |
346.325
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| Canonical SMILES |
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C10H14N6O6S/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(22-10)1-21-23(12,19)20/h2-4,6-7,10,17-18H,1H2,(H2,11,13,14)(H2,12,19,20)/t4-,6-,7-,10-/m1/s1
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| InChIKey |
GNZLUJQJDPRUTD-KQYNXXCUSA-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