General Information of the Compound
| Compound ID |
CP0375157
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| Compound Name |
1-(1-benzylindol-3-yl)-2-phenylethane-1,2-dione
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| Structure |
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| Formula |
C23H17NO2
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| Molecular Weight |
339.394
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| Canonical SMILES |
O=C(C(=O)c1ccccc1)c1cn(Cc2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C23H17NO2/c25-22(18-11-5-2-6-12-18)23(26)20-16-24(15-17-9-3-1-4-10-17)21-14-8-7-13-19(20)21/h1-14,16H,15H2
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| InChIKey |
NBDZJHFQOKDBRI-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