General Information of the Compound
| Compound ID |
CP0448674
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| Compound Name |
2-(4-Chloro-phenyl)-2,5-dihydro-pyrazolo[4,3-c]quinolin-4-one
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| Structure |
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| Formula |
C16H10ClN3O
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| Molecular Weight |
295.729
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| Canonical SMILES |
Clc1ccc(cc1)-n1cc2c(n1)c1ccccc1[nH]c2=O
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| InChI |
InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-9-13-15(19-20)12-3-1-2-4-14(12)18-16(13)21/h1-9H,(H,18,21)
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| InChIKey |
BPQNNNJTAPOCKJ-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