General Information of the Compound
| Compound ID |
CP0522050
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| Compound Name |
8-(2-Thioxo-7(3-butyl)-2-(2-furyl),thiazolo,[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine
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| Structure |
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| Formula |
C14H13N5OS2
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| Molecular Weight |
331.426
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| Canonical SMILES |
CCCCn1c2ncn3nc(nc3c2sc1=S)-c1ccco1
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| InChI |
InChI=1S/C14H13N5OS2/c1-2-3-6-18-12-10(22-14(18)21)13-16-11(9-5-4-7-20-9)17-19(13)8-15-12/h4-5,7-8H,2-3,6H2,1H3
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| InChIKey |
QHFYRCHXHNWYCV-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