General Information of the Compound
| Compound ID |
CP0421266
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| Compound Name |
(2R,3S,4S,5R)-6-amino-5-ethylcarboxyamide-2-(3''-indolyl)-ethyloxy)-purin-9-yl)-tetrahydrofuran
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| Structure |
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| Formula |
C22H25N7O5
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| Molecular Weight |
467.486
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| Canonical SMILES |
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(OCCc3c[nH]c4ccccc34)nc12
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| InChI |
InChI=1S/C22H25N7O5/c1-2-24-20(32)17-15(30)16(31)21(34-17)29-10-26-14-18(23)27-22(28-19(14)29)33-8-7-11-9-25-13-6-4-3-5-12(11)13/h3-6,9-10,15-17,21,25,30-31H,2,7-8H2,1H3,(H,24,32)(H2,23,27,28)/t15-,16+,17-,21+/m0/s1
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| InChIKey |
LMJAPBLXLKIKOZ-GRXQJBFDSA-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