General Information of the Compound
| Compound ID |
CP0376368
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| Compound Name |
1-[8-(2-benzyloxy-ethyl)-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-pyridin-4-yl-urea
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| Structure |
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| Formula |
C25H21N9O3
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| Molecular Weight |
495.503
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| Canonical SMILES |
O=C(Nc1ccncc1)Nc1nc2nn(CCOCc3ccccc3)cc2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C25H21N9O3/c35-25(27-18-8-10-26-11-9-18)30-24-29-21-19(23-28-22(32-34(23)24)20-7-4-13-37-20)15-33(31-21)12-14-36-16-17-5-2-1-3-6-17/h1-11,13,15H,12,14,16H2,(H2,26,27,29,30,31,35)
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| InChIKey |
KEOFEPBQPNRHDK-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