General Information of the Compound
| Compound ID |
CP0459538
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| Compound Name |
CHEMBL1800864
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| Formula |
C20H20N6O3
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| Molecular Weight |
392.419
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| Canonical SMILES |
CCC1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(OC)no1
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| InChI |
InChI=1S/C20H20N6O3/c1-3-13-11-26-18(21-13)16-19(23-17(22-16)14-9-15(28-2)24-29-14)25(20(26)27)10-12-7-5-4-6-8-12/h4-9,13H,3,10-11H2,1-2H3,(H,22,23)
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| InChIKey |
BQKYZCOYBSFRCQ-UHFFFAOYSA-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