General Information of the Compound
| Compound ID |
CP0435752
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| Compound Name |
N-[4-chloro-2-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidin-6-yl]-4-methylbenzamide
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| Structure |
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| Formula |
C18H20ClN5O
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| Molecular Weight |
357.845
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| Canonical SMILES |
Cc1ccc(cc1)C(=O)Nc1nc(Cl)c2cn(CC(C)(C)C)nc2n1
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| InChI |
InChI=1S/C18H20ClN5O/c1-11-5-7-12(8-6-11)16(25)22-17-20-14(19)13-9-24(10-18(2,3)4)23-15(13)21-17/h5-9H,10H2,1-4H3,(H,21,22,23,25)
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| InChIKey |
AWUMJKVEYLHXEW-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