General Information of the Compound
| Compound ID |
CP0439459
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| Compound Name |
1-(1-oxo-2-phenyl-1H-3,3a,5,9b-tetraaza-cyclopenta[a]naphthalen-4-yl)-3-phenyl-urea
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| Structure |
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| Formula |
C22H16N6O2
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| Molecular Weight |
396.41
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| Canonical SMILES |
O=C(Nc1ccccc1)Nc1nc2ccccc2n2n1nc(-c1ccccc1)c2=O
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| InChI |
InChI=1S/C22H16N6O2/c29-20-19(15-9-3-1-4-10-15)26-28-21(24-17-13-7-8-14-18(17)27(20)28)25-22(30)23-16-11-5-2-6-12-16/h1-14H,(H2,23,24,25,30)
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| InChIKey |
BVOVJLLRSXDRRX-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