General Information of the Compound
| Compound ID |
CP0539328
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| Compound Name |
(1R,2S,3S,5R)-3-(6-aminopurin-9-yl)-4,4-difluoro-5-(hydroxymethyl)cyclopentane-1,2-diol
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| Structure |
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| Formula |
C11H13F2N5O3
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| Molecular Weight |
301.253
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| Canonical SMILES |
Nc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)C1(F)F
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| InChI |
InChI=1S/C11H13F2N5O3/c12-11(13)4(1-19)6(20)7(21)8(11)18-3-17-5-9(14)15-2-16-10(5)18/h2-4,6-8,19-21H,1H2,(H2,14,15,16)/t4-,6-,7-,8+/m1/s1
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| InChIKey |
XSXKATMUCWUUFZ-JBBNEOJLSA-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