General Information of the Compound
| Compound ID |
CP0381327
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| Compound Name |
N-[(3,4-dimethoxyphenyl)methyl]-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-pentaen-7-amine
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| Structure |
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| Formula |
C20H19N7O3
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| Molecular Weight |
405.418
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| Canonical SMILES |
COc1ccc(CNc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1OC
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| InChI |
InChI=1S/C20H19N7O3/c1-26-11-13-17(24-26)23-20(21-10-12-6-7-14(28-2)16(9-12)29-3)27-19(13)22-18(25-27)15-5-4-8-30-15/h4-9,11H,10H2,1-3H3,(H,21,23,24)
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| InChIKey |
MWVVPKMOFGWWBE-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