General Information of the Compound
| Compound ID |
CP0459195
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| Compound Name |
5-[(beta-Naphthylmethyl)carbonyl]amino-8-n-propyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine
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| Structure |
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| Formula |
C25H21N7O2
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| Molecular Weight |
451.49
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| Canonical SMILES |
CCCn1cc2c(n1)nc(NC(=O)Cc1ccc3ccccc3c1)n1nc(nc21)-c1ccco1
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| InChI |
InChI=1S/C25H21N7O2/c1-2-11-31-15-19-22(29-31)28-25(32-24(19)27-23(30-32)20-8-5-12-34-20)26-21(33)14-16-9-10-17-6-3-4-7-18(17)13-16/h3-10,12-13,15H,2,11,14H2,1H3,(H,26,28,29,33)
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| InChIKey |
JEQYPTSYIYWQSD-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: PT01278, Adenosine receptor A2b