General Information of the Compound
| Compound ID |
CP0484705
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| Compound Name |
CHEMBL1800789
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| Formula |
C22H23N7O2
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| Molecular Weight |
417.473
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| Canonical SMILES |
CC1CN2C(=N1)c1[nH]c(nc1N(CC=C)C2=O)-c1cc(OCc2ccccc2)nn1C
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| InChI |
InChI=1S/C22H23N7O2/c1-4-10-28-21-18(20-23-14(2)12-29(20)22(28)30)24-19(25-21)16-11-17(26-27(16)3)31-13-15-8-6-5-7-9-15/h4-9,11,14H,1,10,12-13H2,2-3H3,(H,24,25)
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| InChIKey |
TULQMGBITLITRW-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