General Information of the Compound
| Compound ID |
CP0448140
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| Compound Name |
N-[4-(furan-2-yl)-11-(3-methylbutyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2-phenoxyacetamide
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| Structure |
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| Formula |
C23H23N7O3
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| Molecular Weight |
445.483
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| Canonical SMILES |
CC(C)CCn1cc2c(n1)nc(NC(=O)COc1ccccc1)n1nc(nc21)-c1ccco1
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| InChI |
InChI=1S/C23H23N7O3/c1-15(2)10-11-29-13-17-20(27-29)26-23(24-19(31)14-33-16-7-4-3-5-8-16)30-22(17)25-21(28-30)18-9-6-12-32-18/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,24,26,27,31)
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| InChIKey |
GOYAQHRLQPUEKB-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3