General Information of the Compound
| Compound ID |
CP0494931
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| Compound Name |
(2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-[6-[[(1R,2R)-2-(3-methoxyphenoxy)cyclopentyl]amino]purin-9-yl]oxolane-2-carboxamide
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| Structure |
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| Formula |
C24H30N6O6
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| Molecular Weight |
498.54
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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]3Oc3cccc(OC)c3)ncnc12
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| InChI |
InChI=1S/C24H30N6O6/c1-3-25-23(33)20-18(31)19(32)24(36-20)30-12-28-17-21(26-11-27-22(17)30)29-15-8-5-9-16(15)35-14-7-4-6-13(10-14)34-2/h4,6-7,10-12,15-16,18-20,24,31-32H,3,5,8-9H2,1-2H3,(H,25,33)(H,26,27,29)/t15-,16-,18+,19-,20+,24-/m1/s1
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| InChIKey |
RTDGLSRULFVAFC-FUWISXPPSA-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