General Information of the Compound
| Compound ID |
CP0473074
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| Compound Name |
1-(3-chlorophenyl)-3-(2-phenethyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)urea
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| Structure |
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| Formula |
C26H21ClN6O
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| Molecular Weight |
468.948
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| Canonical SMILES |
Clc1cccc(NC(=O)Nc2nc(nc3nn(CCc4ccccc4)cc23)-c2ccccc2)c1
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| InChI |
InChI=1S/C26H21ClN6O/c27-20-12-7-13-21(16-20)28-26(34)31-24-22-17-33(15-14-18-8-3-1-4-9-18)32-25(22)30-23(29-24)19-10-5-2-6-11-19/h1-13,16-17H,14-15H2,(H2,28,29,30,31,32,34)
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| InChIKey |
MZZFEGQYNUTPPX-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: PT01279, Adenosine receptor A3