General Information of the Compound
| Compound ID |
CP0568779
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| Compound Name |
(1S,2R,3S,4R,5S)-2,3-dihydroxy-4-[6-[2-(3-hydroxy-4-methoxyphenyl)ethylamino]-2-(3-methylbutoxy)purin-9-yl]-N-methylbicyclo[3.1.0]hexane-1-carboxamide
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| Structure |
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| Formula |
C27H36N6O6
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| Molecular Weight |
540.621
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| Canonical SMILES |
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(OC)c(O)c3)nc(OCCC(C)C)nc12
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| InChI |
InChI=1S/C27H36N6O6/c1-14(2)8-10-39-26-31-23(29-9-7-15-5-6-18(38-4)17(34)11-15)19-24(32-26)33(13-30-19)20-16-12-27(16,25(37)28-3)22(36)21(20)35/h5-6,11,13-14,16,20-22,34-36H,7-10,12H2,1-4H3,(H,28,37)(H,29,31,32)/t16-,20-,21+,22+,27+/m1/s1
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| InChIKey |
BBUDWDJHOPLKCB-ZFDFLGGNSA-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