General Information of the Compound
| Compound ID |
CP0395579
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| Compound Name |
N-(4-chloro-2-methylpyrazolo[3,4-d]pyrimidin-6-yl)-4-methylbenzamide
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| Structure |
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| Formula |
C14H12ClN5O
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| Molecular Weight |
301.737
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| Canonical SMILES |
Cc1ccc(cc1)C(=O)Nc1nc(Cl)c2cn(C)nc2n1
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| InChI |
InChI=1S/C14H12ClN5O/c1-8-3-5-9(6-4-8)13(21)18-14-16-11(15)10-7-20(2)19-12(10)17-14/h3-7H,1-2H3,(H,17,18,19,21)
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| InChIKey |
PYUAPSQTISPWRB-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