General Information of the Compound
| Compound ID |
CP0437765
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| Compound Name |
2-Amino-4-benzo[1,3]dioxol-5-yl-6-furan-2-yl-nicotinonitrile
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| Structure |
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| Formula |
C17H11N3O3
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| Molecular Weight |
305.293
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| Canonical SMILES |
Nc1nc(cc(-c2ccc3OCOc3c2)c1C#N)-c1ccco1
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| InChI |
InChI=1S/C17H11N3O3/c18-8-12-11(10-3-4-15-16(6-10)23-9-22-15)7-13(20-17(12)19)14-2-1-5-21-14/h1-7H,9H2,(H2,19,20)
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| InChIKey |
BSDPUVBSSGQTGP-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: PT01279, Adenosine receptor A3