General Information of the Compound
| Compound ID |
CP0395640
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| Compound Name |
N-[4-chloro-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-yl]-4-methylbenzamide
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| Structure |
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| Formula |
C21H18ClN5O
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| Molecular Weight |
391.862
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| Canonical SMILES |
Cc1ccc(cc1)C(=O)Nc1nc(Cl)c2cn(CCc3ccccc3)nc2n1
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| InChI |
InChI=1S/C21H18ClN5O/c1-14-7-9-16(10-8-14)20(28)25-21-23-18(22)17-13-27(26-19(17)24-21)12-11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,24,25,26,28)
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| InChIKey |
RXHSAYJYEIARQG-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