General Information of the Compound
| Compound ID |
CP0001583
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| Compound Name |
8-Chloro-2-phenyl-5H-3,3a,5,9b-tetraaza-cyclopenta[a]naphthalene-1,4-dione
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| Structure |
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| Formula |
C15H9ClN4O2
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| Molecular Weight |
312.716
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| Canonical SMILES |
Clc1ccc2[nH]c(=O)n3nc(-c4ccccc4)c(=O)n3c2c1
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| InChI |
InChI=1S/C15H9ClN4O2/c16-10-6-7-11-12(8-10)19-14(21)13(9-4-2-1-3-5-9)18-20(19)15(22)17-11/h1-8H,(H,17,22)
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| InChIKey |
CHQPOBHNDRMXFK-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