General Information of the Compound
| Compound ID |
CP0472589
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| Compound Name |
CHEMBL1800739
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| Formula |
C21H23N7O
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| Molecular Weight |
389.463
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| Canonical SMILES |
CC[C@@H]1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(C)nn1C
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| InChI |
InChI=1S/C21H23N7O/c1-4-15-12-28-19(22-15)17-20(24-18(23-17)16-10-13(2)25-26(16)3)27(21(28)29)11-14-8-6-5-7-9-14/h5-10,15H,4,11-12H2,1-3H3,(H,23,24)/t15-/m1/s1
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| InChIKey |
WORWRFFHAOPSQM-OAHLLOKOSA-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