General Information of the Compound
| Compound ID |
CP0453430
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| Compound Name |
2-(4-Chloro-phenyl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
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| Structure |
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| Formula |
C20H16ClN7
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| Molecular Weight |
389.85
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| Canonical SMILES |
Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H16ClN7/c21-15-8-6-14(7-9-15)17-24-19-16-12-23-27(11-10-13-4-2-1-3-5-13)18(16)25-20(22)28(19)26-17/h1-9,12H,10-11H2,(H2,22,25)
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| InChIKey |
IRPSOMIAYKIXLG-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