General Information of the Compound
| Compound ID |
CP0869630
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| Compound Name |
(2-amino-1-(4-chlorophenyl)-1H-imidazol-5-yl)(4-methyl-2-(phenylamino)thiazol-5-yl)methanone
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| Structure |
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| Formula |
C20H16ClN5OS
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| Molecular Weight |
409.902
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| Canonical SMILES |
Cc1nc(Nc2ccccc2)sc1C(=O)c1cnc(N)n1-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H16ClN5OS/c1-12-18(28-20(24-12)25-14-5-3-2-4-6-14)17(27)16-11-23-19(22)26(16)15-9-7-13(21)8-10-15/h2-11H,1H3,(H2,22,23)(H,24,25)
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| InChIKey |
IHBSFTOKRYGLOH-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