General Information of the Compound
| Compound ID |
CP0855218
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| Compound Name |
(2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(azidomethyl)-tetrahydrothiophene-3,4-diol
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| Structure |
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| Formula |
C16H15IN8O2S
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| Molecular Weight |
510.321
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| Canonical SMILES |
[N-]=[N+]=NC[C@H]1S[C@@H](n2cnc3c(Nc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O
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| InChI |
InChI=1S/C16H15IN8O2S/c17-8-2-1-3-9(4-8)23-14-11-15(20-6-19-14)25(7-21-11)16-13(27)12(26)10(28-16)5-22-24-18/h1-4,6-7,10,12-13,16,26-27H,5H2,(H,19,20,23)/t10-,12-,13-,16-/m1/s1
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| InChIKey |
DXCMQCMXFAFGJV-XNIJJKJLSA-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