General Information of the Compound
| Compound ID |
CP0383484
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| Compound Name |
3-chloro-N-(2-phenethyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)benzamide
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| Structure |
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| Formula |
C26H20ClN5O
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| Molecular Weight |
453.933
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| Canonical SMILES |
Clc1cccc(c1)C(=O)Nc1nc(nc2nn(CCc3ccccc3)cc12)-c1ccccc1
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| InChI |
InChI=1S/C26H20ClN5O/c27-21-13-7-12-20(16-21)26(33)30-24-22-17-32(15-14-18-8-3-1-4-9-18)31-25(22)29-23(28-24)19-10-5-2-6-11-19/h1-13,16-17H,14-15H2,(H,28,29,30,31,33)
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| InChIKey |
NDYJYWOTTDGVPO-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