General Information of the Compound
| Compound ID |
CP0012418
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| Compound Name |
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolane-3,4-diol
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| Structure |
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| Formula |
C18H27N7O3
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| Molecular Weight |
389.46
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| Canonical SMILES |
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CN2CCCC22CCNCC2)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C18H27N7O3/c19-15-12-16(22-9-21-15)25(10-23-12)17-14(27)13(26)11(28-17)8-24-7-1-2-18(24)3-5-20-6-4-18/h9-11,13-14,17,20,26-27H,1-8H2,(H2,19,21,22)/t11-,13-,14-,17-/m1/s1
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| InChIKey |
NBMHRKZWASUUCJ-LSCFUAHRSA-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