General Information of the Compound
| Compound ID |
CP0401647
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| Compound Name |
12-N-ethyl-4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaene-7,12-diamine
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| Structure |
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| Formula |
C13H14N8O
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| Molecular Weight |
298.31
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| Canonical SMILES |
CCNc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
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| InChI |
InChI=1S/C13H14N8O/c1-3-15-11-8-10(18-20(11)2)17-13(14)21-12(8)16-9(19-21)7-5-4-6-22-7/h4-6,15H,3H2,1-2H3,(H2,14,17,18)
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| InChIKey |
RUQBAFIWHCWACH-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