General Information of the Compound
| Compound ID |
CP0862331
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| Compound Name |
N-(5-(2-amino-1-(4-chlorophenyl)-1H-imidazole-5-carbonyl)-4-(dimethylamino)thiazol-2-yl)benzamide
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| Structure |
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| Formula |
C22H19ClN6O2S
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| Molecular Weight |
466.954
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| Canonical SMILES |
CN(C)c1nc(NC(=O)c2ccccc2)sc1C(=O)c1cnc(N)n1-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H19ClN6O2S/c1-28(2)19-18(32-22(26-19)27-20(31)13-6-4-3-5-7-13)17(30)16-12-25-21(24)29(16)15-10-8-14(23)9-11-15/h3-12H,1-2H3,(H2,24,25)(H,26,27,31)
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| InChIKey |
XUUPIQPJPCUEKX-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