General Information of the Compound
| Compound ID |
CP0508444
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| Compound Name |
(2R,3R,4S,5R)-2-(2-Chloro-6-methoxyamino-purin-9-yl)-5-isoxazol-3-yl-tetrahydro-furan-3,4-diol
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| Structure |
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| Formula |
C13H13ClN6O5
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| Molecular Weight |
368.737
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| Canonical SMILES |
CONc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)c1ccon1
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| InChI |
InChI=1S/C13H13ClN6O5/c1-23-19-10-6-11(17-13(14)16-10)20(4-15-6)12-8(22)7(21)9(25-12)5-2-3-24-18-5/h2-4,7-9,12,21-22H,1H3,(H,16,17,19)/t7-,8+,9+,12+/m0/s1
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| InChIKey |
DSEWACBLYMCGGM-FNOROQBZSA-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