General Information of the Compound
| Compound ID |
CP0013286
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| Compound Name |
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(1-azaspiro[4.5]decan-1-ylmethyl)oxolane-3,4-diol
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| Formula |
C19H28N6O3
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| Molecular Weight |
388.472
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| Canonical SMILES |
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CN2CCCC22CCCCC2)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C19H28N6O3/c20-16-13-17(22-10-21-16)25(11-23-13)18-15(27)14(26)12(28-18)9-24-8-4-7-19(24)5-2-1-3-6-19/h10-12,14-15,18,26-27H,1-9H2,(H2,20,21,22)/t12-,14-,15-,18-/m1/s1
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| InChIKey |
LZAGHJBHYHTZRO-SCFUHWHPSA-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