General Information of the Compound
| Compound ID |
CP0884491
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| Compound Name |
2-Amino-N6-cyclobutyladenosine-5'-N-methylcarboxamide
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| Structure |
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| Formula |
C15H21N7O4
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| Molecular Weight |
363.378
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| Canonical SMILES |
CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCC4)nc(N)nc32)[C@H](O)[C@@H]1O
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| InChI |
InChI=1S/C15H21N7O4/c1-17-13(25)10-8(23)9(24)14(26-10)22-5-18-7-11(19-6-3-2-4-6)20-15(16)21-12(7)22/h5-6,8-10,14,23-24H,2-4H2,1H3,(H,17,25)(H3,16,19,20,21)/t8-,9+,10-,14+/m0/s1
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| InChIKey |
NPUPFMDILXTXOB-AEISUSGSSA-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: PT01279, Adenosine receptor A3