General Information of the Compound
| Compound ID |
CP0465076
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| Compound Name |
(2S,3S,4R,5R)-5-[6-(furan-2-ylmethylamino)purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
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| Structure |
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| Formula |
C16H18N6O5
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| Molecular Weight |
374.357
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| Canonical SMILES |
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccco3)ncnc12
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| InChI |
InChI=1S/C16H18N6O5/c1-17-15(25)12-10(23)11(24)16(27-12)22-7-21-9-13(19-6-20-14(9)22)18-5-8-3-2-4-26-8/h2-4,6-7,10-12,16,23-24H,5H2,1H3,(H,17,25)(H,18,19,20)/t10-,11+,12-,16+/m0/s1
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| InChIKey |
LPDCHGHGIIEPMA-MEQWQQMJSA-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