General Information of the Compound
| Compound ID |
CP0847898
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| Compound Name |
(1S,2R,3S,4R,5S)-4-(6-(cyclopentylamino)-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
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| Structure |
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| Formula |
C18H24N6O3
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| Molecular Weight |
372.429
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| Canonical SMILES |
CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)ncnc31)[C@H](O)[C@@H]2O
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| InChI |
InChI=1S/C18H24N6O3/c1-19-17(27)18-6-10(18)12(13(25)14(18)26)24-8-22-11-15(20-7-21-16(11)24)23-9-4-2-3-5-9/h7-10,12-14,25-26H,2-6H2,1H3,(H,19,27)(H,20,21,23)/t10-,12-,13+,14+,18-/m1/s1
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| InChIKey |
GKBJUUNWOIEUDP-VOIPTAPHSA-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: PT01278, Adenosine receptor A2b
Protein ID: PT01827, Adenosine receptor A3
Protein ID: PT01279, Adenosine receptor A3