General Information of the Compound
| Compound ID |
CP0047372
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| Compound Name |
1-(3,4-Dichloro-phenyl)-3-(2-furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea
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| Structure |
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| Formula |
C18H12Cl2N8O2
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| Molecular Weight |
443.254
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| Canonical SMILES |
Cn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)c(Cl)c1)n1nc(nc21)-c1ccco1
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| InChI |
InChI=1S/C18H12Cl2N8O2/c1-27-8-10-14(25-27)23-17(24-18(29)21-9-4-5-11(19)12(20)7-9)28-16(10)22-15(26-28)13-3-2-6-30-13/h2-8H,1H3,(H2,21,23,24,25,29)
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| InChIKey |
WRFYJOIKSSTMGJ-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