General Information of the Compound
| Compound ID |
CP0395752
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| Compound Name |
4-(furan-2-yl)-11-(3-phenylpropyl)-3,5,6,8,11-pentazatricyclo[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 |
C20H18N6O
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| Molecular Weight |
358.405
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| Canonical SMILES |
Nc1nc2cn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C20H18N6O/c21-20-22-16-13-25(10-4-8-14-6-2-1-3-7-14)12-15(16)19-23-18(24-26(19)20)17-9-5-11-27-17/h1-3,5-7,9,11-13H,4,8,10H2,(H2,21,22)
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| InChIKey |
SFBLPDYRMGKGLC-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