General Information of the Compound
| Compound ID |
CP0424404
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| Compound Name |
3-(furan-2-yl)-10-(2-phenylethyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one
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| Structure |
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| Formula |
C21H16N4O2
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| Molecular Weight |
356.385
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| Canonical SMILES |
O=c1c(nnc2n(CCc3ccccc3)c3ccccc3n12)-c1ccco1
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| InChI |
InChI=1S/C21H16N4O2/c26-20-19(18-11-6-14-27-18)22-23-21-24(13-12-15-7-2-1-3-8-15)16-9-4-5-10-17(16)25(20)21/h1-11,14H,12-13H2
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| InChIKey |
TYMRXESQMJNRFG-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