General Information of the Compound
| Compound ID |
CP0383486
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| Compound Name |
1-(3-chlorophenyl)-3-(2-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)urea
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| Structure |
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| Formula |
C19H15ClN6O
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| Molecular Weight |
378.823
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| Canonical SMILES |
Cn1cc2c(NC(=O)Nc3cccc(Cl)c3)nc(nc2n1)-c1ccccc1
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| InChI |
InChI=1S/C19H15ClN6O/c1-26-11-15-17(24-19(27)21-14-9-5-8-13(20)10-14)22-16(23-18(15)25-26)12-6-3-2-4-7-12/h2-11H,1H3,(H2,21,22,23,24,25,27)
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| InChIKey |
PPSJGFNRWXVHTB-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