General Information of the Compound
| Compound ID |
CP0422829
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| Compound Name |
2-(4-(3-(5-Amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)phenoxy)-N-(2-aminoethyl)acetamide
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| Structure |
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| Formula |
C23H25N9O3
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| Molecular Weight |
475.513
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| Canonical SMILES |
NCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
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| InChI |
InChI=1S/C23H25N9O3/c24-9-10-26-19(33)14-35-16-7-5-15(6-8-16)3-1-11-31-21-17(13-27-31)22-28-20(18-4-2-12-34-18)30-32(22)23(25)29-21/h2,4-8,12-13H,1,3,9-11,14,24H2,(H2,25,29)(H,26,33)
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| InChIKey |
OLHYFYRMZTYSBT-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