General Information of the Compound
| Compound ID |
CP0379819
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| Compound Name |
5-[(4-chlorophenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid
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| Structure |
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| Formula |
C17H12ClN5O3
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| Molecular Weight |
369.768
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| Canonical SMILES |
OC(=O)c1cnc(NCc2ccc(Cl)cc2)n2nc(nc12)-c1ccco1
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| InChI |
InChI=1S/C17H12ClN5O3/c18-11-5-3-10(4-6-11)8-19-17-20-9-12(16(24)25)15-21-14(22-23(15)17)13-2-1-7-26-13/h1-7,9H,8H2,(H,19,20)(H,24,25)
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| InChIKey |
PMDMFBXAOGSHBR-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