General Information of the Compound
| Compound ID |
CP0452389
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| Compound Name |
11-(furan-2-yl)-3-(2-phenylethyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-8-amine
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| Structure |
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| Formula |
C18H15N7O
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| Molecular Weight |
345.366
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| Canonical SMILES |
Nc1nc2cnn(CCc3ccccc3)c2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C18H15N7O/c19-18-21-13-11-20-24(9-8-12-5-2-1-3-6-12)15(13)17-22-16(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,21)
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| InChIKey |
SLRFMWZADWPTCV-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