General Information of the Compound
| Compound ID |
CP0495143
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| Compound Name |
(2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-[6-[[(1R,2R)-2-phenoxycyclopentyl]amino]purin-9-yl]oxolane-2-carboxamide
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| Structure |
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| Formula |
C23H28N6O5
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| Molecular Weight |
468.514
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| Canonical SMILES |
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3ccccc3)ncnc12
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| InChI |
InChI=1S/C23H28N6O5/c1-2-24-22(32)19-17(30)18(31)23(34-19)29-12-27-16-20(25-11-26-21(16)29)28-14-9-6-10-15(14)33-13-7-4-3-5-8-13/h3-5,7-8,11-12,14-15,17-19,23,30-31H,2,6,9-10H2,1H3,(H,24,32)(H,25,26,28)/t14-,15-,17+,18-,19+,23-/m1/s1
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| InChIKey |
MNMRRFAISKIFMJ-SLHDEKGNSA-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: PT01717, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3