General Information of the Compound
| Compound ID |
CP0851868
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| Compound Name |
(R,S)-4-Benzyl-7,8-dihydro-8-methyl-2-(1,5-dimethyl-1H-pyrazol-3-yl)-1H-imidazo[2,1-i]purin-5(4H)-one
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| Formula |
C20H21N7O
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| Molecular Weight |
375.436
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| Canonical SMILES |
Cc1cc(-c2nc3c([nH]2)C2=NC(C)CN2C(=O)N3Cc2ccccc2)nn1C
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| InChI |
InChI=1S/C20H21N7O/c1-12-10-26-18(21-12)16-19(23-17(22-16)15-9-13(2)25(3)24-15)27(20(26)28)11-14-7-5-4-6-8-14/h4-9,12H,10-11H2,1-3H3,(H,22,23)
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| InChIKey |
VBUCJPOBSNVRTH-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