General Information of the Compound
| Compound ID |
CP0398623
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| Compound Name |
N-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]cyclohexanecarboxamide
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| Structure |
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| Formula |
C17H24N6O5
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| Molecular Weight |
392.416
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| Canonical SMILES |
Nc1nc(NC(=O)C2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C17H24N6O5/c18-13-10-14(21-17(20-13)22-15(27)8-4-2-1-3-5-8)23(7-19-10)16-12(26)11(25)9(6-24)28-16/h7-9,11-12,16,24-26H,1-6H2,(H3,18,20,21,22,27)/t9-,11-,12-,16-/m1/s1
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| InChIKey |
INLBKVISPUBQHM-UBEDBUPSSA-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
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3