General Information of the Compound
| Compound ID |
CP0462060
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| Compound Name |
4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethyl)benzenesulfonic acid
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| Structure |
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| Formula |
C18H15N7O4S
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| Molecular Weight |
425.43
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| Canonical SMILES |
Nc1nc2n(CCc3ccc(cc3)S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C18H15N7O4S/c19-18-22-16-13(17-21-15(23-25(17)18)14-2-1-9-29-14)10-20-24(16)8-7-11-3-5-12(6-4-11)30(26,27)28/h1-6,9-10H,7-8H2,(H2,19,22)(H,26,27,28)
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| InChIKey |
ZWERJHJGEYCEAU-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