General Information of the Compound
| Compound ID |
CP0862330
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| Compound Name |
(2-amino-1-(4-fluorophenyl)-1H-imidazol-5-yl)(2-(4-chlorophenylamino)-4-methylthiazol-5-yl)methanone
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| Structure |
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| Formula |
C20H15ClFN5OS
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| Molecular Weight |
427.892
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| Canonical SMILES |
Cc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cnc(N)n1-c1ccc(F)cc1
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| InChI |
InChI=1S/C20H15ClFN5OS/c1-11-18(29-20(25-11)26-14-6-2-12(21)3-7-14)17(28)16-10-24-19(23)27(16)15-8-4-13(22)5-9-15/h2-10H,1H3,(H2,23,24)(H,25,26)
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| InChIKey |
PIZWNHKSSVITKB-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