General Information of the Compound
| Compound ID |
CP0453022
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| Compound Name |
1-[2-furan-2-yl-8-(3-hydroxy-propyl)-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 |
C19H17N9O3
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| Molecular Weight |
419.405
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| Canonical SMILES |
OCCCn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
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| InChI |
InChI=1S/C19H17N9O3/c29-9-2-8-27-11-13-15(25-27)23-18(24-19(30)21-12-4-6-20-7-5-12)28-17(13)22-16(26-28)14-3-1-10-31-14/h1,3-7,10-11,29H,2,8-9H2,(H2,20,21,23,24,25,30)
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| InChIKey |
GFZYPXHAEKVIKQ-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