General Information of the Compound
| Compound ID |
CP0474846
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| Compound Name |
N-(3-oxo-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl)-2-phenylacetamide
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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(Cc1ccccc1)Nc1nc2ncccc2n2c1nn(-c1ccccc1)c2=O
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| InChI |
InChI=1S/C22H16N6O2/c29-18(14-15-8-3-1-4-9-15)24-20-21-26-28(16-10-5-2-6-11-16)22(30)27(21)17-12-7-13-23-19(17)25-20/h1-13H,14H2,(H,23,24,25,29)
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| InChIKey |
PWWAJFDRORIJNJ-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: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3