General Information of the Compound
| Compound ID |
CP0470743
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| Compound Name |
(1S,2R,3R,5S)-4,4-difluoro-3-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]cyclopentane-1,2-diol
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| Structure |
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| Formula |
C12H15F2N5O3
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| Molecular Weight |
315.28
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| Canonical SMILES |
CNc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)C1(F)F
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| InChI |
InChI=1S/C12H15F2N5O3/c1-15-10-6-11(17-3-16-10)19(4-18-6)9-8(22)7(21)5(2-20)12(9,13)14/h3-5,7-9,20-22H,2H2,1H3,(H,15,16,17)/t5-,7-,8-,9+/m1/s1
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| InChIKey |
XZQKGWNGMYPRGL-YYNOVJQHSA-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