General Information of the Compound
| Compound ID |
CP0871830
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| Compound Name |
(2-amino-1-(4-methoxyphenyl)-1H-imidazol-5-yl)(4-phenyl-2-(phenylamino)thiazol-5-yl)methanone
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| Structure |
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| Formula |
C26H21N5O2S
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| Molecular Weight |
467.554
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| Canonical SMILES |
COc1ccc(-n2c(C(=O)c3sc(Nc4ccccc4)nc3-c3ccccc3)cnc2N)cc1
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| InChI |
InChI=1S/C26H21N5O2S/c1-33-20-14-12-19(13-15-20)31-21(16-28-25(31)27)23(32)24-22(17-8-4-2-5-9-17)30-26(34-24)29-18-10-6-3-7-11-18/h2-16H,1H3,(H2,27,28)(H,29,30)
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| InChIKey |
AYYNVPQMGBMBJL-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