General Information of the Compound
| Compound ID |
CP0864681
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| Compound Name |
N-(5-(2-amino-1-(4-(trifluoromethyl)phenyl)-1H-imidazole-5-carbonyl)-4-(dimethylamino)thiazol-2-yl)benzamide
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| Structure |
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| Formula |
C23H19F3N6O2S
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| Molecular Weight |
500.506
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| Canonical SMILES |
CN(C)c1nc(NC(=O)c2ccccc2)sc1C(=O)c1cnc(N)n1-c1ccc(C(F)(F)F)cc1
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| InChI |
InChI=1S/C23H19F3N6O2S/c1-31(2)19-18(35-22(29-19)30-20(34)13-6-4-3-5-7-13)17(33)16-12-28-21(27)32(16)15-10-8-14(9-11-15)23(24,25)26/h3-12H,1-2H3,(H2,27,28)(H,29,30,34)
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| InChIKey |
KAUFQDLVWJHTBZ-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