General Information of the Compound
| Compound ID |
CP0495633
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| Compound Name |
3-chloro-N-(1-oxo-2-p-tolyl-1H-3,3a,5,9b-tetraaza-cyclopenta[a]naphthalen-4-yl)-benzamide
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| Structure |
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| Formula |
C23H16ClN5O2
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| Molecular Weight |
429.867
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| Canonical SMILES |
Cc1ccc(cc1)-c1nn2c(NC(=O)c3cccc(Cl)c3)nc3ccccc3n2c1=O
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| InChI |
InChI=1S/C23H16ClN5O2/c1-14-9-11-15(12-10-14)20-22(31)28-19-8-3-2-7-18(19)25-23(29(28)27-20)26-21(30)16-5-4-6-17(24)13-16/h2-13H,1H3,(H,25,26,30)
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| InChIKey |
JFRHIMKWWJQUOG-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