General Information of the Compound
| Compound ID |
CP0381289
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| Compound Name |
4-(furan-2-yl)-11-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine
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| Structure |
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| Formula |
C19H14F3N7O
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| Molecular Weight |
413.363
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| Canonical SMILES |
Cn1cc2c(n1)nc(NCc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1
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| InChI |
InChI=1S/C19H14F3N7O/c1-28-10-13-15(26-28)25-18(23-9-11-4-6-12(7-5-11)19(20,21)22)29-17(13)24-16(27-29)14-3-2-8-30-14/h2-8,10H,9H2,1H3,(H,23,25,26)
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| InChIKey |
FSPHFYJVKIBWCA-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