General Information of the Compound
| Compound ID |
CP0376871
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| Compound Name |
1-(2-phenethyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-phenylurea
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| Structure |
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| Formula |
C26H22N6O
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| Molecular Weight |
434.503
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| Canonical SMILES |
O=C(Nc1ccccc1)Nc1nc(nc2nn(CCc3ccccc3)cc12)-c1ccccc1
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| InChI |
InChI=1S/C26H22N6O/c33-26(27-21-14-8-3-9-15-21)30-24-22-18-32(17-16-19-10-4-1-5-11-19)31-25(22)29-23(28-24)20-12-6-2-7-13-20/h1-15,18H,16-17H2,(H2,27,28,29,30,31,33)
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| InChIKey |
BDFZOHZGNDMMPH-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