General Information of the Compound
| Compound ID |
CP0566738
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| Compound Name |
(1S,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-[(Z)-2-hydroxy-2-pyrazin-2-ylethenyl]purin-9-yl]-N-methylbicyclo[3.1.0]hexane-1-carboxamide
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| Structure |
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| Formula |
C19H19N7O4
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| Molecular Weight |
409.406
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| Canonical SMILES |
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2cnc(\C=C(/O)c3cnccn3)nc12
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| InChI |
InChI=1S/C19H19N7O4/c1-20-18(30)19-5-9(19)14(15(28)16(19)29)26-8-24-11-7-23-13(25-17(11)26)4-12(27)10-6-21-2-3-22-10/h2-4,6-9,14-16,27-29H,5H2,1H3,(H,20,30)/b12-4-/t9-,14-,15+,16+,19+/m1/s1
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| InChIKey |
VEEFEEQEVKSAED-JSUZXKPKSA-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