General Information of the Compound
| Compound ID |
CP0538195
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| Compound Name |
(1R,2S,3S,4S,5R)-3-(6-aminopurin-9-yl)-4-fluoro-5-(hydroxymethyl)cyclopentane-1,2-diol
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| Structure |
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| Formula |
C11H14FN5O3
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| Molecular Weight |
283.263
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| Canonical SMILES |
Nc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)[C@@H]1F
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| InChI |
InChI=1S/C11H14FN5O3/c12-5-4(1-18)8(19)9(20)7(5)17-3-16-6-10(13)14-2-15-11(6)17/h2-5,7-9,18-20H,1H2,(H2,13,14,15)/t4-,5-,7+,8+,9-/m0/s1
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| InChIKey |
LFSGVDMIBZBPPJ-HRJHIDMESA-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