General Information of the Compound
| Compound ID |
CP0459540
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| Compound Name |
CHEMBL1800737
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| Formula |
C20H21N7O
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| Molecular Weight |
375.436
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| Canonical SMILES |
CC1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(C)nn1C
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| InChI |
InChI=1S/C20H21N7O/c1-12-9-15(25(3)24-12)17-22-16-18-21-13(2)10-26(18)20(28)27(19(16)23-17)11-14-7-5-4-6-8-14/h4-9,13H,10-11H2,1-3H3,(H,22,23)
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| InChIKey |
ASPRGIZZIKFUIQ-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