General Information of the Compound
| Compound ID |
CP0497710
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| Compound Name |
6-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-benzo[1,3]dioxole-5-sulfonic acid
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| Structure |
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| Formula |
C20H17N7O6S
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| Molecular Weight |
483.466
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| Canonical SMILES |
Nc1nc2n(CCCc3cc4OCOc4cc3S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C20H17N7O6S/c21-20-24-18-12(19-23-17(25-27(19)20)13-4-2-6-31-13)9-22-26(18)5-1-3-11-7-14-15(33-10-32-14)8-16(11)34(28,29)30/h2,4,6-9H,1,3,5,10H2,(H2,21,24)(H,28,29,30)
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| InChIKey |
KMTCPHIXCANCDM-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